Androstan-17-one, (3.alpha.,5.alpha.)-
TL;DR: Androstan-17-one, (3.alpha.,5.alpha.)- (CAS 54025-21-7) is a chemical compound with molecular formula C22H33ClN2O4 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate
Also Known As: Androstan-17-one, (3.alpha.,5.alpha.)-, 17-Oxo-5alpha-androstan-3alpha-yl (2-chloroethyl)(nitroso)carbamate, [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate, [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6
| Molecular Formula | C22H33ClN2O4 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.2129 |
| Heavy Atoms | 29 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 54025-21-7 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OC(=O)N(CCCl)N=O |
| InChIKey | FULFKXIGCUQZJE-WSKGSGNSSA-N |
Product Overview
Androstan-17-one, (3.alpha.,5.alpha.)- (CAS 54025-21-7), with molecular formula C22H33ClN2O4 and molecular weight 424.21 g/mol. IUPAC: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate.
Chemical Property Profile of Androstan-17-one, (3.alpha.,5.alpha.)-
Property Insights of Androstan-17-one, (3.alpha.,5.alpha.)-
The XLogP value of 4.6 indicates that Androstan-17-one, (3.alpha.,5.alpha.)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Androstan-17-one, (3.alpha.,5.alpha.)-. Following Lipinski's Rule of Five, Androstan-17-one, (3.alpha.,5.alpha.)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Androstan-17-one, (3.alpha.,5.alpha.)-?
The CAS number of Androstan-17-one, (3.alpha.,5.alpha.)- is 54025-21-7.
What is the molecular formula of Androstan-17-one, (3.alpha.,5.alpha.)-?
The molecular formula of Androstan-17-one, (3.alpha.,5.alpha.)- is C22H33ClN2O4.
What is the molecular weight of Androstan-17-one, (3.alpha.,5.alpha.)-?
The molecular weight of Androstan-17-one, (3.alpha.,5.alpha.)- is 424.21 g/mol.
Where can I buy Androstan-17-one, (3.alpha.,5.alpha.)-?
You can request a quote for Androstan-17-one, (3.alpha.,5.alpha.)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androstan-17-one, (3.alpha.,5.alpha.)-?
Yes, KEHONG BIO provides custom synthesis services for Androstan-17-one, (3.alpha.,5.alpha.)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.