18-Hydroxypregn-4-ene-3,20-dione
TL;DR: 18-Hydroxypregn-4-ene-3,20-dione (CAS 596-69-0) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13R,14S,17S)-17-acetyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 18-Hydroxyprogesterone, 18-Hydroxypregn-4-ene-3,20-dione, 19-Hydroxy-progesteron, 18-Hydroxypregn-4-ene-3,20-dione;, 18-Hydroxypregn-4-ene-3,20-dione #
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 596-69-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)CO |
| InChIKey | QFNCSEWPJSDMED-OFELHODLSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
18-Hydroxypregn-4-ene-3,20-dione (CAS 596-69-0), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (8R,9S,10R,13R,14S,17S)-17-acetyl-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 18-Hydroxypregn-4-ene-3,20-dione
Property Insights of 18-Hydroxypregn-4-ene-3,20-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-Hydroxypregn-4-ene-3,20-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 18-Hydroxypregn-4-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 18-Hydroxypregn-4-ene-3,20-dione has 1 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 18-Hydroxypregn-4-ene-3,20-dione?
The CAS number of 18-Hydroxypregn-4-ene-3,20-dione is 596-69-0.
What is the molecular formula of 18-Hydroxypregn-4-ene-3,20-dione?
The molecular formula of 18-Hydroxypregn-4-ene-3,20-dione is C21H30O3.
What is the molecular weight of 18-Hydroxypregn-4-ene-3,20-dione?
The molecular weight of 18-Hydroxypregn-4-ene-3,20-dione is 330.22 g/mol.
Where can I buy 18-Hydroxypregn-4-ene-3,20-dione?
You can request a quote for 18-Hydroxypregn-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 18-Hydroxypregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 18-Hydroxypregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.