Estroxide
TL;DR: Estroxide (CAS 472-56-0) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4R,6S,7S,10S)-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-trien-14-ol
Also Known As: Estroxide, VOMEROPHERIN, 16,17-Epoxyestra-1(10),2,4-trien-3-ol, 16alpha,17alpha-Epoxy-1,3,5(10)-estratrien-3-ol, 16
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 472-56-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]4[C@H]2O4)CCC5=C3C=CC(=C5)O |
| InChIKey | XPXOJYZDBJGFEI-PNVOZDDCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estroxide (CAS 472-56-0), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: (1R,2S,4R,6S,7S,10S)-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-trien-14-ol.
Chemical Property Profile of Estroxide
Property Insights of Estroxide
The XLogP value of 4.0 indicates that Estroxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Estroxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estroxide has 1 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 Estroxide?
The CAS number of Estroxide is 472-56-0.
What is the molecular formula of Estroxide?
The molecular formula of Estroxide is C18H22O2.
What is the molecular weight of Estroxide?
The molecular weight of Estroxide is 270.16 g/mol.
Where can I buy Estroxide?
You can request a quote for Estroxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estroxide?
Yes, KEHONG BIO provides custom synthesis services for Estroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.