![4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate structure](/static/products/326/326869-71-0.png)
4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate
TL;DR: 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate (CAS 326869-71-0) is a chemical compound with molecular formula C26H15ClN4O2 and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 2-chloroquinoline-3-carboxylate
Also Known As: 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate, [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 2-chloroquinoline-3-carboxylate, [4-[2-(1H-benzoimidazol-2-yl)-2-cyano-ethenyl]phenyl] 2-chloroquinoline-3-carboxylate
| Molecular Formula | C26H15ClN4O2 |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 6.04788 |
| Topological Polar Surface Area | 91.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.08835 |
| Heavy Atoms | 33 |
| Complexity | 1547.0973 |
Chemical Identifiers
| CAS Number | 326869-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C4=NC5=CC=CC=C5N4 |
Product Overview
4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate (CAS 326869-71-0), with molecular formula C26H15ClN4O2 and molecular weight 450.09 g/mol. IUPAC: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 2-chloroquinoline-3-carboxylate.
Chemical Property Profile of 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate
Property Insights of 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate
The XLogP value of 6.04788 indicates that 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate. Following Lipinski's Rule of Five, 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate has 1 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 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate?
The CAS number of 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate is 326869-71-0.
What is the molecular formula of 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate?
The molecular formula of 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate is C26H15ClN4O2.
What is the molecular weight of 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate?
The molecular weight of 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate is 450.09 g/mol.
Where can I buy 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate?
You can request a quote for 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 2-chloroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.