(3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid
TL;DR: (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid (CAS 88674-38-8) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ylidene)acetic acid
Also Known As: (3,17-dihydroxyandrost-5-en-16-ylidene)acetic acid, (2E)-2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ylidene)acetic acid, 2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ylidene)acetic acid
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 88674-38-8 |
|---|---|
| SMILES | CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC(=O)O)C4O)C)O |
| InChIKey | JWHYWIOYERRSQL-UHFFFAOYSA-N |
Product Overview
(3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid (CAS 88674-38-8), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ylidene)acetic acid.
Chemical Property Profile of (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid
Property Insights of (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid. Following Lipinski's Rule of Five, (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid has 3 hydrogen bond donor(s) and 4 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 (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid?
The CAS number of (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid is 88674-38-8.
What is the molecular formula of (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid?
The molecular formula of (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid is C21H30O4.
What is the molecular weight of (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid?
The molecular weight of (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid is 346.21 g/mol.
Where can I buy (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid?
You can request a quote for (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3,17-Dihydroxyandrost-5-en-16-ylidene)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.