5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate
TL;DR: 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate (CAS 2601-07-2) is a chemical compound with molecular formula C23H34O3 and molecular weight 358.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Allopregn-16-enolone acetate, 16-Pregnene-3.beta.-ol-20-one, 20-Oxopregn-16-en-3-yl acetate #, 3b-acetoxy-5b-pregn-16-ene-20-one, 3beta-acetoxy-5beta-pregn-16-en-20-one
| Molecular Formula | C23H34O3 |
|---|---|
| Molecular Weight | 358.25 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.2508 |
| Heavy Atoms | 26 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 2601-07-2 |
|---|---|
| SMILES | CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
| InChIKey | YFMSIVMSEGIVCP-VLBJDTNOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate (CAS 2601-07-2), with molecular formula C23H34O3 and molecular weight 358.25 g/mol. IUPAC: [(3S,5R,8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate
Property Insights of 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate
The XLogP value of 5.3 indicates that 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, 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, 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate 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 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate?
The CAS number of 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate is 2601-07-2.
What is the molecular formula of 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate?
The molecular formula of 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate is C23H34O3.
What is the molecular weight of 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate?
The molecular weight of 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate is 358.25 g/mol.
Where can I buy 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate?
You can request a quote for 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Pregn-16-en-20-one, 3beta-hydroxy-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.