Estra-1(10),2,4-triene-1,3,17-triol
TL;DR: Estra-1(10),2,4-triene-1,3,17-triol (CAS 4147-05-1) 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.
(17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,3,17-triol
Also Known As: 1-Hydroxyestradiol, Estra-1(10),2,4-triene-1,3,17-triol, Estra-1(10),2,4-triene-1,3,17beta-triol, ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL, (17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,3,17-triol
| Molecular Formula | C18H24O3 |
|---|---|
| Molecular Weight | 288.17 g/mol |
| LogP | 3.7 |
| 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 | 4147-05-1 |
|---|---|
| SMILES | CC12CCC3C(C1CC[C@@H]2O)CCC4=C3C(=CC(=C4)O)O |
| InChIKey | BSBWEXLXIOSMDG-IEKYFPHUSA-N |
Product Overview
Estra-1(10),2,4-triene-1,3,17-triol (CAS 4147-05-1), with molecular formula C18H24O3 and molecular weight 288.17 g/mol. IUPAC: (17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,3,17-triol.
Chemical Property Profile of Estra-1(10),2,4-triene-1,3,17-triol
Property Insights of Estra-1(10),2,4-triene-1,3,17-triol
The XLogP value of 3.7 indicates that Estra-1(10),2,4-triene-1,3,17-triol 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 Estra-1(10),2,4-triene-1,3,17-triol. Following Lipinski's Rule of Five, Estra-1(10),2,4-triene-1,3,17-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(10),2,4-triene-1,3,17-triol?
The CAS number of Estra-1(10),2,4-triene-1,3,17-triol is 4147-05-1.
What is the molecular formula of Estra-1(10),2,4-triene-1,3,17-triol?
The molecular formula of Estra-1(10),2,4-triene-1,3,17-triol is C18H24O3.
What is the molecular weight of Estra-1(10),2,4-triene-1,3,17-triol?
The molecular weight of Estra-1(10),2,4-triene-1,3,17-triol is 288.17 g/mol.
Where can I buy Estra-1(10),2,4-triene-1,3,17-triol?
You can request a quote for Estra-1(10),2,4-triene-1,3,17-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(10),2,4-triene-1,3,17-triol?
Yes, KEHONG BIO provides custom synthesis services for Estra-1(10),2,4-triene-1,3,17-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.