17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol
TL;DR: 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol (CAS 3604-60-2) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Ethynylandrostenediol, 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol, KST-1A4326, (3, A,17
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 3604-60-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O |
| InChIKey | VGJUOWGYQZYCII-TVWVXWENSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol (CAS 3604-60-2), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-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 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol
Property Insights of 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol
The XLogP value of 3.5 indicates that 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-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, 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-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 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol?
The CAS number of 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol is 3604-60-2.
What is the molecular formula of 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol?
The molecular formula of 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol is C21H30O2.
What is the molecular weight of 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol?
The molecular weight of 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol is 314.22 g/mol.
Where can I buy 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol?
You can request a quote for 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol?
Yes, KEHONG BIO provides custom synthesis services for 17-alpha-Pregn-5-en-20-yne-3-beta,17-beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.