17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate
TL;DR: 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate (CAS 35211-83-7) is a chemical compound with molecular formula C24H35Cl2NO3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
Also Known As: OACEC, 17-Oxoandrost-5-en-3-yl bis(2-chloroethyl)carbamate, 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate, 17-Oxoandrost-5-en-3beta-yl bis(2-chloroethyl)carbamate, [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
| Molecular Formula | C24H35Cl2NO3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.1994 |
| Heavy Atoms | 30 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 35211-83-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)N(CCCl)CCCl)C |
| InChIKey | BSRCNLJKQGEGIF-IGJOJHROSA-N |
Product Overview
17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate (CAS 35211-83-7), with molecular formula C24H35Cl2NO3 and molecular weight 455.20 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate.
Chemical Property Profile of 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate
Property Insights of 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate
The XLogP value of 5.0 indicates that 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate has 0 hydrogen bond donor(s) and 3 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 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate?
The CAS number of 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate is 35211-83-7.
What is the molecular formula of 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate?
The molecular formula of 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate is C24H35Cl2NO3.
What is the molecular weight of 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate?
The molecular weight of 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate is 455.20 g/mol.
Where can I buy 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate?
You can request a quote for 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 17-Oxo-5-androsten-3beta-yl-N,N-bis(2'-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.