(3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one
TL;DR: (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one (CAS 2453-93-2) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,10R,13S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: NCI60_009399, (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one, [(3S,8R,10R,13S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.21948 |
| Heavy Atoms | 26 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 2453-93-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C2[C@@]1(CCC3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
| InChIKey | QLMXZKMIBONXSF-SRTDZIGRSA-N |
Product Overview
(3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one (CAS 2453-93-2), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: [(3S,8R,10R,13S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one
Property Insights of (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one
The XLogP value of 4.1 indicates that (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one 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 (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one?
The CAS number of (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one is 2453-93-2.
What is the molecular formula of (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one?
The molecular formula of (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one is C23H30O3.
What is the molecular weight of (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one?
The molecular weight of (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one is 354.22 g/mol.
Where can I buy (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one?
You can request a quote for (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one?
Yes, KEHONG BIO provides custom synthesis services for (3b)-3-(Acetyloxy)pregna-5,14,16-trien-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.