Pregnenediol
TL;DR: Pregnenediol (CAS 901-56-4) 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.
(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: pregnenediol, delta5-pregnenediol, 20beta-Dihydropregnenolone, 5-Pregnene-3,20-diol, 20a-Dihydro pregnenolone
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.26 g/mol |
| LogP | 4.5 |
| 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 | 901-56-4 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O |
| InChIKey | QAAQQTDJEXMIMF-YZXCLFAISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregnenediol (CAS 901-56-4), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Pregnenediol
Property Insights of Pregnenediol
The XLogP value of 4.5 indicates that Pregnenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Pregnenediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregnenediol 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 Pregnenediol?
The CAS number of Pregnenediol is 901-56-4.
What is the molecular formula of Pregnenediol?
The molecular formula of Pregnenediol is C21H34O2.
What is the molecular weight of Pregnenediol?
The molecular weight of Pregnenediol is 318.26 g/mol.
Where can I buy Pregnenediol?
You can request a quote for Pregnenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnenediol?
Yes, KEHONG BIO provides custom synthesis services for Pregnenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.