3beta,21-Diacetoxypregna-5,16-dien-20-one
TL;DR: 3beta,21-Diacetoxypregna-5,16-dien-20-one (CAS 37413-93-7) is a chemical compound with molecular formula C25H34O5 and molecular weight 414.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,8R,9S,10R,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: 3beta,21-diacetoxypregna-5,16-dien-20-one, 3I(2),21-Diacetoxypregna-5,16-dien-20-one, 3beta,21-Bis(acetyloxy)pregna-5,16-dien-20-one, 20-Oxo-3beta-pregna-5,16-diene-3,21-diyl diacetate, Pregna-5,16-dien-20-one, 3,21-bis(acetyloxy)-, (3.beta.)-
| Molecular Formula | C25H34O5 |
|---|---|
| Molecular Weight | 414.24 g/mol |
| LogP | 4.5494 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.24063 |
| Heavy Atoms | 30 |
| Complexity | 823.3956 |
Chemical Identifiers
| CAS Number | 37413-93-7 |
|---|---|
| SMILES | CC(=O)OCC(=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
3beta,21-Diacetoxypregna-5,16-dien-20-one (CAS 37413-93-7), with molecular formula C25H34O5 and molecular weight 414.24 g/mol. IUPAC: [2-[(3S,8R,9S,10R,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of 3beta,21-Diacetoxypregna-5,16-dien-20-one
Property Insights of 3beta,21-Diacetoxypregna-5,16-dien-20-one
The XLogP value of 4.5494 indicates that 3beta,21-Diacetoxypregna-5,16-dien-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,21-Diacetoxypregna-5,16-dien-20-one. Following Lipinski's Rule of Five, 3beta,21-Diacetoxypregna-5,16-dien-20-one has 0 hydrogen bond donor(s) and 5 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 3beta,21-Diacetoxypregna-5,16-dien-20-one?
The CAS number of 3beta,21-Diacetoxypregna-5,16-dien-20-one is 37413-93-7.
What is the molecular formula of 3beta,21-Diacetoxypregna-5,16-dien-20-one?
The molecular formula of 3beta,21-Diacetoxypregna-5,16-dien-20-one is C25H34O5.
What is the molecular weight of 3beta,21-Diacetoxypregna-5,16-dien-20-one?
The molecular weight of 3beta,21-Diacetoxypregna-5,16-dien-20-one is 414.24 g/mol.
Where can I buy 3beta,21-Diacetoxypregna-5,16-dien-20-one?
You can request a quote for 3beta,21-Diacetoxypregna-5,16-dien-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,21-Diacetoxypregna-5,16-dien-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3beta,21-Diacetoxypregna-5,16-dien-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.