16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate
TL;DR: 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate (CAS 16980-67-9) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 16-MDPOA, 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate, 16-Methyl-3,17-dihydroxy-5alpha-pregnane-20-one-3-acetate, 17-Hydroxy-16-methyl-20-oxopregnan-3-yl acetate, [(3S,5S,8R,9S,10S,13S,14S,16R,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 4.5269 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 673.5163 |
Chemical Identifiers
| CAS Number | 16980-67-9 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)OC(=O)C |
Product Overview
16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate (CAS 16980-67-9), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,16R,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate
Property Insights of 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate
The XLogP value of 4.5269 indicates that 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate. Following Lipinski's Rule of Five, 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate has 1 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 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate?
The CAS number of 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate is 16980-67-9.
What is the molecular formula of 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate?
The molecular formula of 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate is C24H38O4.
What is the molecular weight of 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate?
The molecular weight of 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate is 390.28 g/mol.
Where can I buy 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate?
You can request a quote for 16-Methyl-3,17-dihydroxypregnane-20-one-3-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-3,17-dihydroxypregnane-20-one-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 16-Methyl-3,17-dihydroxypregnane-20-one-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.