Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed B   > BG01508006
601-63-8 structure

BG01508006

Iupac Name:[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
CAS No.:601-63-8
Molecular Weight:398.587
Molecular Formula:C22H25FN4O4S (isomer)
Names and Identifiers
Synonyms

6-n-ethylquinoline-5,6-diamine AK195442 AKOS009996908 BG01508005 mfcd12067808 n6-ethylquinoline-5,6-diamine ZINC37377484

Inchi
InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1
InChkey
REWKEGSQGOSEES-FNKXXKKYSA-N
Canonical Smiles
CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35
Properties
Refractive Index
1.548
Safety and Handling
HazardClass
6.1
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 601-63-8 EC: BG01508006 ·ECHA C&L Inventory for CAS: CAS: 601-63-8 EC: BG01508006
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:398.587g/mol
  • Molecular Formula:C22H25FN4O4S
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.7
  • Exact Mass:398.282
  • Monoisotopic Mass:398.282
  • Complexity:688
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAYMAAAAwYIAAAAAAAGDAAAAAGgAAAAAADxSggAICCAAABACI AqDSCAAAAAAgAAAACAEAAEgAABIAAQACAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAIAADAAA AA==
Recommended Suppliers
  • Tel:86-717-4128488
  • Fax:86-0717-4460150
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59721024
  • Fax:86-27-59721024
  • Tel:86-27-83223926
  • Fax:86-27-83496462
Recommended Suppliers
  • Tel:86-717-4128488
  • Fax:86-0717-4460150
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59721024
  • Fax:86-27-59721024
  • Tel:86-27-83223926
  • Fax:86-27-83496462
 
<