17-Hydroxypregna-4,9(11)-diene-3,20-dione
TL;DR: 17-Hydroxypregna-4,9(11)-diene-3,20-dione (CAS 34184-82-2) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 17-Hydroxypregna-4,9(11)-diene-3,20-dione, 21-Desacetoxy Anecortave, EC 251-868-4, (8S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one, Pregna-4,9(11)-diene-3,20-dione,17-hydroxy-
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 34184-82-2 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)O |
| InChIKey | ARJWMUSCDIJFLB-GVVDHYSOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-Hydroxypregna-4,9(11)-diene-3,20-dione (CAS 34184-82-2), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: (8S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17-Hydroxypregna-4,9(11)-diene-3,20-dione
Property Insights of 17-Hydroxypregna-4,9(11)-diene-3,20-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxypregna-4,9(11)-diene-3,20-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 17-Hydroxypregna-4,9(11)-diene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxypregna-4,9(11)-diene-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 17-Hydroxypregna-4,9(11)-diene-3,20-dione?
The CAS number of 17-Hydroxypregna-4,9(11)-diene-3,20-dione is 34184-82-2.
What is the molecular formula of 17-Hydroxypregna-4,9(11)-diene-3,20-dione?
The molecular formula of 17-Hydroxypregna-4,9(11)-diene-3,20-dione is C21H28O3.
What is the molecular weight of 17-Hydroxypregna-4,9(11)-diene-3,20-dione?
The molecular weight of 17-Hydroxypregna-4,9(11)-diene-3,20-dione is 328.20 g/mol.
Where can I buy 17-Hydroxypregna-4,9(11)-diene-3,20-dione?
You can request a quote for 17-Hydroxypregna-4,9(11)-diene-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 17-Hydroxypregna-4,9(11)-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxypregna-4,9(11)-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.