estra-1,3,5 -triene-3,7,17-triol
TL;DR: estra-1,3,5 -triene-3,7,17-triol (CAS 3398-11-6) is a chemical compound with molecular formula C18H24O3 and molecular weight 288.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
Also Known As: estra-1,3,5 -triene-3,7,17-triol, (8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
| Molecular Formula | C18H24O3 |
|---|---|
| Molecular Weight | 288.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.17255 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 3398-11-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O)C(CC4=C3C=CC(=C4)O)O |
| InChIKey | CQPNIWHVQNCXHA-FIUVQJEPSA-N |
Product Overview
estra-1,3,5 -triene-3,7,17-triol (CAS 3398-11-6), with molecular formula C18H24O3 and molecular weight 288.17 g/mol. IUPAC: (8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol.
Chemical Property Profile of estra-1,3,5 -triene-3,7,17-triol
Property Insights of estra-1,3,5 -triene-3,7,17-triol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for estra-1,3,5 -triene-3,7,17-triol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for estra-1,3,5 -triene-3,7,17-triol. Following Lipinski's Rule of Five, estra-1,3,5 -triene-3,7,17-triol 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 estra-1,3,5 -triene-3,7,17-triol?
The CAS number of estra-1,3,5 -triene-3,7,17-triol is 3398-11-6.
What is the molecular formula of estra-1,3,5 -triene-3,7,17-triol?
The molecular formula of estra-1,3,5 -triene-3,7,17-triol is C18H24O3.
What is the molecular weight of estra-1,3,5 -triene-3,7,17-triol?
The molecular weight of estra-1,3,5 -triene-3,7,17-triol is 288.17 g/mol.
Where can I buy estra-1,3,5 -triene-3,7,17-triol?
You can request a quote for estra-1,3,5 -triene-3,7,17-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for estra-1,3,5 -triene-3,7,17-triol?
Yes, KEHONG BIO provides custom synthesis services for estra-1,3,5 -triene-3,7,17-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.