Pregn-4-ene-3-beta,20-beta-diol
TL;DR: Pregn-4-ene-3-beta,20-beta-diol (CAS 15780-16-2) is a chemical compound with molecular formula C21H34O2 and molecular weight 318.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(1-hydroxyethyl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 4-Pregnene-3,20-diol, 4-Pregnene-3alpha,20alpha-diol, 4-pregnene-3-alpha,20-alpha-diol, PREGN-4-ENE-3-BETA,20-BETA-DIOL, 17-(1-hydroxyethyl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.26 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.2559 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 15780-16-2 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C)O |
| InChIKey | IBMZAHKIAAJREF-UHFFFAOYSA-N |
Product Overview
Pregn-4-ene-3-beta,20-beta-diol (CAS 15780-16-2), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: 17-(1-hydroxyethyl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Pregn-4-ene-3-beta,20-beta-diol
Property Insights of Pregn-4-ene-3-beta,20-beta-diol
The XLogP value of 4.4 indicates that Pregn-4-ene-3-beta,20-beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Pregn-4-ene-3-beta,20-beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregn-4-ene-3-beta,20-beta-diol has 2 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-4-ene-3-beta,20-beta-diol?
The CAS number of Pregn-4-ene-3-beta,20-beta-diol is 15780-16-2.
What is the molecular formula of Pregn-4-ene-3-beta,20-beta-diol?
The molecular formula of Pregn-4-ene-3-beta,20-beta-diol is C21H34O2.
What is the molecular weight of Pregn-4-ene-3-beta,20-beta-diol?
The molecular weight of Pregn-4-ene-3-beta,20-beta-diol is 318.26 g/mol.
Where can I buy Pregn-4-ene-3-beta,20-beta-diol?
You can request a quote for Pregn-4-ene-3-beta,20-beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3-beta,20-beta-diol?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3-beta,20-beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.