3a-Acetoxy-pregna-5,16-diene-20-one
TL;DR: 3a-Acetoxy-pregna-5,16-diene-20-one (CAS 95720-31-3) 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.
[(3R,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Pregnenolone Impurity 14, Dehydropregnenolone acetate, 3a-acetoxy-pregna-5,16-diene-20-one, (3R,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, [(3R,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C23H32O3 |
|---|---|
| Molecular Weight | 356.24 g/mol |
| LogP | 5.0062 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.23514 |
| Heavy Atoms | 26 |
| Complexity | 702.2415 |
Chemical Identifiers
| CAS Number | 95720-31-3 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C |
Product Overview
3a-Acetoxy-pregna-5,16-diene-20-one (CAS 95720-31-3), with molecular formula C23H32O3 and molecular weight 356.24 g/mol. IUPAC: [(3R,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3a-Acetoxy-pregna-5,16-diene-20-one
Property Insights of 3a-Acetoxy-pregna-5,16-diene-20-one
The XLogP value of 5.0062 indicates that 3a-Acetoxy-pregna-5,16-diene-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3a-Acetoxy-pregna-5,16-diene-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a-Acetoxy-pregna-5,16-diene-20-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3a-Acetoxy-pregna-5,16-diene-20-one?
The CAS number of 3a-Acetoxy-pregna-5,16-diene-20-one is 95720-31-3.
What is the molecular formula of 3a-Acetoxy-pregna-5,16-diene-20-one?
The molecular formula of 3a-Acetoxy-pregna-5,16-diene-20-one is C23H32O3.
What is the molecular weight of 3a-Acetoxy-pregna-5,16-diene-20-one?
The molecular weight of 3a-Acetoxy-pregna-5,16-diene-20-one is 356.24 g/mol.
Where can I buy 3a-Acetoxy-pregna-5,16-diene-20-one?
You can request a quote for 3a-Acetoxy-pregna-5,16-diene-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a-Acetoxy-pregna-5,16-diene-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3a-Acetoxy-pregna-5,16-diene-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.