Pregn-11-ene-3, (5beta)-
TL;DR: Pregn-11-ene-3, (5beta)- (CAS 1196-55-0) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Pregn-11-ene-3,20-dione, NCIOpen2_007188, 5.beta.-Pregn-11-ene-3,20-dione, 11-PREGNENE-3,20-DIONE, 5beta-Pregn-11-ene-3,20-dione
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 1196-55-0 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(C=CC3C2CCC4C3(CCC(=O)C4)C)C |
| InChIKey | ZQTJQOPWOKKYDC-UHFFFAOYSA-N |
Product Overview
Pregn-11-ene-3, (5beta)- (CAS 1196-55-0), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: 17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregn-11-ene-3, (5beta)-
Property Insights of Pregn-11-ene-3, (5beta)-
The XLogP value of 4.0 indicates that Pregn-11-ene-3, (5beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Pregn-11-ene-3, (5beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregn-11-ene-3, (5beta)- has 0 hydrogen bond donor(s) and 2 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 Pregn-11-ene-3, (5beta)-?
The CAS number of Pregn-11-ene-3, (5beta)- is 1196-55-0.
What is the molecular formula of Pregn-11-ene-3, (5beta)-?
The molecular formula of Pregn-11-ene-3, (5beta)- is C21H30O2.
What is the molecular weight of Pregn-11-ene-3, (5beta)-?
The molecular weight of Pregn-11-ene-3, (5beta)- is 314.22 g/mol.
Where can I buy Pregn-11-ene-3, (5beta)-?
You can request a quote for Pregn-11-ene-3, (5beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-11-ene-3, (5beta)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-11-ene-3, (5beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.