16-Methyl-20-oxopregna-5,16-dien-3-yl acetate
TL;DR: 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate (CAS 982-06-9) is a chemical compound with molecular formula C24H34O3 and molecular weight 370.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Also Known As: 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate, 16-Methyl-20-oxopregna-5,16-dien-3-beta-yl acetate, (17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate, Pregna-5,16-dien-20-one, 3-(acetyloxy)-16-methyl-, (3.beta.)-, Pregna-5,16-dien-20-one, 3.beta.-hydroxy-16-methyl-, acetate
| Molecular Formula | C24H34O3 |
|---|---|
| Molecular Weight | 370.25 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 | 370.2508 |
| Heavy Atoms | 27 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 982-06-9 |
|---|---|
| SMILES | CC1=C(C2(CCC3C(C2C1)CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=O)C |
| InChIKey | NELMHAIFXJZDST-UHFFFAOYSA-N |
Product Overview
16-Methyl-20-oxopregna-5,16-dien-3-yl acetate (CAS 982-06-9), with molecular formula C24H34O3 and molecular weight 370.25 g/mol. IUPAC: (17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate.
Chemical Property Profile of 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate
Property Insights of 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate
The XLogP value of 4.4 indicates that 16-Methyl-20-oxopregna-5,16-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, 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Methyl-20-oxopregna-5,16-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 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate?
The CAS number of 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate is 982-06-9.
What is the molecular formula of 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate?
The molecular formula of 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate is C24H34O3.
What is the molecular weight of 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate?
The molecular weight of 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate is 370.25 g/mol.
Where can I buy 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate?
You can request a quote for 16-Methyl-20-oxopregna-5,16-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 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.