delta 5-Pregnenetriol
TL;DR: delta 5-Pregnenetriol (CAS 2204-13-9) is a chemical compound with molecular formula C21H34O3 and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: delta 5-Pregnenetriol, (3b,20S)-Pregn-5-ene-3,17,20-triol, Pregn-5-en-3,17,20-triol, Pregn-5-ene-3,17,20-triol, Pregn-5-ene-3b,17,20a-triol
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 2204-13-9 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O |
| InChIKey | XGUQCUDPXSTKLI-PUOFRWEFSA-N |
Product Overview
delta 5-Pregnenetriol (CAS 2204-13-9), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of delta 5-Pregnenetriol
Property Insights of delta 5-Pregnenetriol
The XLogP value of 3.1 indicates that delta 5-Pregnenetriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for delta 5-Pregnenetriol. Following Lipinski's Rule of Five, delta 5-Pregnenetriol has 3 hydrogen bond donor(s) and 3 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 delta 5-Pregnenetriol?
The CAS number of delta 5-Pregnenetriol is 2204-13-9.
What is the molecular formula of delta 5-Pregnenetriol?
The molecular formula of delta 5-Pregnenetriol is C21H34O3.
What is the molecular weight of delta 5-Pregnenetriol?
The molecular weight of delta 5-Pregnenetriol is 334.25 g/mol.
Where can I buy delta 5-Pregnenetriol?
You can request a quote for delta 5-Pregnenetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for delta 5-Pregnenetriol?
Yes, KEHONG BIO provides custom synthesis services for delta 5-Pregnenetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.