11,17-Dihydroxypregna-1,4-dien-20-yn-3-one
TL;DR: 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one (CAS 13983-53-4) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-ethynyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: 11,17-dihydroxypregna-1,4-dien-20-yn-3-one, 17-ethynyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 13983-53-4 |
|---|---|
| SMILES | CC12CC(C3C(C1CCC2(C#C)O)CCC4=CC(=O)C=CC34C)O |
| InChIKey | IMVRRRQPUUOMNB-UHFFFAOYSA-N |
Product Overview
11,17-Dihydroxypregna-1,4-dien-20-yn-3-one (CAS 13983-53-4), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 17-ethynyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one
Property Insights of 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one. With a topological polar surface area (TPSA) of 57.5 Ų, 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one has 2 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 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one?
The CAS number of 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one is 13983-53-4.
What is the molecular formula of 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one?
The molecular formula of 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one is C21H26O3.
What is the molecular weight of 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one?
The molecular weight of 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one is 326.19 g/mol.
Where can I buy 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one?
You can request a quote for 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for 11,17-Dihydroxypregna-1,4-dien-20-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.