Estra-1(10),2,4-triene-3,17-diol
TL;DR: Estra-1(10),2,4-triene-3,17-diol (CAS 517-04-4) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: estradiol, Isoestradiol, Isoestrone, 8-Isoestrone, 8-alpha-Estradiol
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 517-04-4 |
|---|---|
| SMILES | CC12CCC3[C@@H](C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O |
| InChIKey | VOXZDWNPVJITMN-ZZEXBNFBSA-N |
Product Overview
Estra-1(10),2,4-triene-3,17-diol (CAS 517-04-4), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: (8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Estra-1(10),2,4-triene-3,17-diol
Property Insights of Estra-1(10),2,4-triene-3,17-diol
The XLogP value of 4.0 indicates that Estra-1(10),2,4-triene-3,17-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, Estra-1(10),2,4-triene-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1(10),2,4-triene-3,17-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 Estra-1(10),2,4-triene-3,17-diol?
The CAS number of Estra-1(10),2,4-triene-3,17-diol is 517-04-4.
What is the molecular formula of Estra-1(10),2,4-triene-3,17-diol?
The molecular formula of Estra-1(10),2,4-triene-3,17-diol is C18H24O2.
What is the molecular weight of Estra-1(10),2,4-triene-3,17-diol?
The molecular weight of Estra-1(10),2,4-triene-3,17-diol is 272.18 g/mol.
Where can I buy Estra-1(10),2,4-triene-3,17-diol?
You can request a quote for Estra-1(10),2,4-triene-3,17-diol 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-3,17-diol?
Yes, KEHONG BIO provides custom synthesis services for Estra-1(10),2,4-triene-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.