20-Oxopregna-9(11),16-dien-3-yl acetate
TL;DR: 20-Oxopregna-9(11),16-dien-3-yl acetate (CAS 21650-83-9) is a chemical compound with molecular formula C23H32O3 and molecular weight 356.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 20-oxopregna-9(11),16-dien-3-yl acetate, (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate, (1R,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane 2-hydroxypropane-1,2,3-tricarboxylate (1:1), [(3S,5S,8S,10S,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C23H32O3 |
|---|---|
| Molecular Weight | 356.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.23514 |
| Heavy Atoms | 26 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 21650-83-9 |
|---|---|
| SMILES | CC(=O)C1=CCC2C1(CC=C3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | GBSGMSKNTLPLQF-UHFFFAOYSA-N |
Product Overview
20-Oxopregna-9(11),16-dien-3-yl acetate (CAS 21650-83-9), with molecular formula C23H32O3 and molecular weight 356.24 g/mol. IUPAC: (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of 20-Oxopregna-9(11),16-dien-3-yl acetate
Property Insights of 20-Oxopregna-9(11),16-dien-3-yl acetate
The XLogP value of 4.4 indicates that 20-Oxopregna-9(11),16-dien-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 20-Oxopregna-9(11),16-dien-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20-Oxopregna-9(11),16-dien-3-yl acetate has 0 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 20-Oxopregna-9(11),16-dien-3-yl acetate?
The CAS number of 20-Oxopregna-9(11),16-dien-3-yl acetate is 21650-83-9.
What is the molecular formula of 20-Oxopregna-9(11),16-dien-3-yl acetate?
The molecular formula of 20-Oxopregna-9(11),16-dien-3-yl acetate is C23H32O3.
What is the molecular weight of 20-Oxopregna-9(11),16-dien-3-yl acetate?
The molecular weight of 20-Oxopregna-9(11),16-dien-3-yl acetate is 356.24 g/mol.
Where can I buy 20-Oxopregna-9(11),16-dien-3-yl acetate?
You can request a quote for 20-Oxopregna-9(11),16-dien-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Oxopregna-9(11),16-dien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 20-Oxopregna-9(11),16-dien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.