3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
TL;DR: 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile (CAS 852706-21-9) is a chemical compound with molecular formula C15H14N2OS and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
Also Known As: 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile, (2E)-3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
| Molecular Formula | C15H14N2OS |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 4.10118 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.08267 |
| Heavy Atoms | 19 |
| Complexity | 623.09515 |
Chemical Identifiers
| CAS Number | 852706-21-9 |
|---|---|
| SMILES | CCOC(=C(C#N)C1=NC(=CS1)C2=CC=CC=C2)C |
Product Overview
3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile (CAS 852706-21-9), with molecular formula C15H14N2OS and molecular weight 270.08 g/mol. IUPAC: 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile.
Chemical Property Profile of 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
Property Insights of 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
The XLogP value of 4.10118 indicates that 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile has 0 hydrogen bond donor(s) and 4 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 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile?
The CAS number of 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile is 852706-21-9.
What is the molecular formula of 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile?
The molecular formula of 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile is C15H14N2OS.
What is the molecular weight of 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile?
The molecular weight of 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile is 270.08 g/mol.
Where can I buy 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile?
You can request a quote for 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.