14,17,21-Trihydroxypregn-4-ene-3,20-dione
TL;DR: 14,17,21-Trihydroxypregn-4-ene-3,20-dione (CAS 595-18-6) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 14,17,21-trihydroxypregn-4-ene-3,20-dione, NCI60_041746, 14-alpha,17-alpha,21-Trihydroxypregn-4-ene-3,20-dione, (8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-17-(2-hydroxyacetyl), (8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 595-18-6 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@]3(CC[C@@]4(C(=O)CO)O)O)C |
| InChIKey | NBOPGWCQYLBUPH-FHBGEGHHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
14,17,21-Trihydroxypregn-4-ene-3,20-dione (CAS 595-18-6), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: (8R,9S,10R,13S,14R,17R)-14,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 14,17,21-Trihydroxypregn-4-ene-3,20-dione
Property Insights of 14,17,21-Trihydroxypregn-4-ene-3,20-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14,17,21-Trihydroxypregn-4-ene-3,20-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 14,17,21-Trihydroxypregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, 14,17,21-Trihydroxypregn-4-ene-3,20-dione has 3 hydrogen bond donor(s) and 5 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 14,17,21-Trihydroxypregn-4-ene-3,20-dione?
The CAS number of 14,17,21-Trihydroxypregn-4-ene-3,20-dione is 595-18-6.
What is the molecular formula of 14,17,21-Trihydroxypregn-4-ene-3,20-dione?
The molecular formula of 14,17,21-Trihydroxypregn-4-ene-3,20-dione is C21H30O5.
What is the molecular weight of 14,17,21-Trihydroxypregn-4-ene-3,20-dione?
The molecular weight of 14,17,21-Trihydroxypregn-4-ene-3,20-dione is 362.21 g/mol.
Where can I buy 14,17,21-Trihydroxypregn-4-ene-3,20-dione?
You can request a quote for 14,17,21-Trihydroxypregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14,17,21-Trihydroxypregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 14,17,21-Trihydroxypregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.