(E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile
TL;DR: (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile (CAS 477296-17-6) is a chemical compound with molecular formula C26H19FN2O2S and molecular weight 442.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
Also Known As: (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile, F0837-0213, (2E)-3-[4-(BENZYLOXY)-3-METHOXYPHENYL]-2-[4-(4-FLUOROPHENYL)-1,3-THIAZOL-2-YL]PROP-2-ENENITRILE, (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile, (2E)-2-[4-(4-fluorophenyl)(1,3-thiazol-2-yl)]-3-[3-methoxy-4-(phenylmethoxy)ph enyl]prop-2-enenitrile
| Molecular Formula | C26H19FN2O2S |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 6.60098 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.1151 |
| Heavy Atoms | 32 |
| Complexity | 1275.4371 |
Chemical Identifiers
| CAS Number | 477296-17-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)F)OCC4=CC=CC=C4 |
Product Overview
(E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile (CAS 477296-17-6), with molecular formula C26H19FN2O2S and molecular weight 442.12 g/mol. IUPAC: (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile
Property Insights of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile
The XLogP value of 6.60098 indicates that (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is 477296-17-6.
What is the molecular formula of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is C26H19FN2O2S.
What is the molecular weight of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile is 442.12 g/mol.
Where can I buy (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(benzyloxy)-3-methoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.