17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate
TL;DR: 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate (CAS 5106-48-9) is a chemical compound with molecular formula C23H30O4 and molecular weight 370.21 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-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate, 3,20-dioxopregna-4,9(11)-dien-17-yl acetate, 17-(Acetyloxy)pregna-4,9(11)-diene-3,20-dione, 17-acetoxy-4,9(11)-pregnadiene-3,20-dione, 17-acetyloxy-pregna-4,9(11)-diene-3,20-dione
| Molecular Formula | C23H30O4 |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.21442 |
| Heavy Atoms | 27 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 5106-48-9 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)OC(=O)C |
| InChIKey | PMKJTWXWJLVKNH-PMAMDCHESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate (CAS 5106-48-9), with molecular formula C23H30O4 and molecular weight 370.21 g/mol. IUPAC: [(8S,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate
Property Insights of 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate. Following Lipinski's Rule of Five, 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate has 0 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 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate?
The CAS number of 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate is 5106-48-9.
What is the molecular formula of 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate?
The molecular formula of 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate is C23H30O4.
What is the molecular weight of 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate?
The molecular weight of 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate is 370.21 g/mol.
Where can I buy 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate?
You can request a quote for 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate 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 17-acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.