21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol
TL;DR: 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol (CAS 975-48-4) is a chemical compound with molecular formula C21H29ClO2 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17S)-17-(2-chloroethynyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol, (3S,8R,9S,10R,13S,14S,17S)-17-(2-chloroethynyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol, (3S,8R,9S,10R,13S,14S,17S)-17-(2-chloroethynyl)-10,13-dimeth
| Molecular Formula | C21H29ClO2 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.1856 |
| Heavy Atoms | 24 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 975-48-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#CCl)O)C)O |
| InChIKey | SCKRQJZQWRFQPI-GCOKGBOCSA-N |
Product Overview
21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol (CAS 975-48-4), with molecular formula C21H29ClO2 and molecular weight 348.19 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17S)-17-(2-chloroethynyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol
Property Insights of 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol
The XLogP value of 4.4 indicates that 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol has 2 hydrogen bond donor(s) and 2 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 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol?
The CAS number of 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol is 975-48-4.
What is the molecular formula of 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol?
The molecular formula of 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol is C21H29ClO2.
What is the molecular weight of 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol?
The molecular weight of 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol is 348.19 g/mol.
Where can I buy 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol?
You can request a quote for 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol?
Yes, KEHONG BIO provides custom synthesis services for 21-Chloro-17alpha-pregn-5-en-20-yne-3beta,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.