Androstan-3-one, (5.alpha.,17.beta.)-
TL;DR: Androstan-3-one, (5.alpha.,17.beta.)- (CAS 54025-35-3) 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.
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate
Also Known As: Androstan-3-one, (5.alpha.,17.beta.)-, 3-Oxo-5alpha-androstan-17beta-yl (2-chloroethyl)(nitroso)carbamate, [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate, [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7
| Molecular Formula | C22H33ClN2O4 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 4.5 |
| 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 | 54025-35-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)N(CCCl)N=O)C |
| InChIKey | SALYBQYJYPDVQY-GRPBBMKTSA-N |
Product Overview
Androstan-3-one, (5.alpha.,17.beta.)- (CAS 54025-35-3), with molecular formula C22H33ClN2O4 and molecular weight 424.21 g/mol. IUPAC: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate.
Chemical Property Profile of Androstan-3-one, (5.alpha.,17.beta.)-
Property Insights of Androstan-3-one, (5.alpha.,17.beta.)-
The XLogP value of 4.5 indicates that Androstan-3-one, (5.alpha.,17.beta.)- 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-3-one, (5.alpha.,17.beta.)-. Following Lipinski's Rule of Five, Androstan-3-one, (5.alpha.,17.beta.)- 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-3-one, (5.alpha.,17.beta.)-?
The CAS number of Androstan-3-one, (5.alpha.,17.beta.)- is 54025-35-3.
What is the molecular formula of Androstan-3-one, (5.alpha.,17.beta.)-?
The molecular formula of Androstan-3-one, (5.alpha.,17.beta.)- is C22H33ClN2O4.
What is the molecular weight of Androstan-3-one, (5.alpha.,17.beta.)-?
The molecular weight of Androstan-3-one, (5.alpha.,17.beta.)- is 424.21 g/mol.
Where can I buy Androstan-3-one, (5.alpha.,17.beta.)-?
You can request a quote for Androstan-3-one, (5.alpha.,17.beta.)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androstan-3-one, (5.alpha.,17.beta.)-?
Yes, KEHONG BIO provides custom synthesis services for Androstan-3-one, (5.alpha.,17.beta.)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.