![(e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester structure](/static/products/778/77891-29-3.png)
(e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester
TL;DR: (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester (CAS 77891-29-3) is a chemical compound with molecular formula C16H13ClO2 and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-(4-chlorophenyl)ethenyl]benzoate
Also Known As: Benzenediazonium,5-chloro-2-methyl, methyl 4-[2-(4-chlorophenyl)ethenyl]benzoate, methyl 4-[(E)-2-(4-chlorophenyl)ethenyl]benzoate, (e)-4-[2-(4-chloro-phenyl)-vinyl]-benzoic acid methyl ester
| Molecular Formula | C16H13ClO2 |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 4.297 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0604 |
| Heavy Atoms | 19 |
| Complexity | 583.15094 |
Chemical Identifiers
| CAS Number | 77891-29-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Cl |
Product Overview
(e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester (CAS 77891-29-3), with molecular formula C16H13ClO2 and molecular weight 272.06 g/mol. IUPAC: methyl 4-[(E)-2-(4-chlorophenyl)ethenyl]benzoate.
Chemical Property Profile of (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester
Property Insights of (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester
The XLogP value of 4.297 indicates that (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester has 0 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 (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester?
The CAS number of (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester is 77891-29-3.
What is the molecular formula of (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester?
The molecular formula of (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester is C16H13ClO2.
What is the molecular weight of (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester?
The molecular weight of (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester is 272.06 g/mol.
Where can I buy (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester?
You can request a quote for (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (e)-4-[2-(4-Chloro-phenyl)-vinyl]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.