Methyl 4-chloro-alpha-cyanocinnamate
TL;DR: Methyl 4-chloro-alpha-cyanocinnamate (CAS 54440-99-2) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate
Also Known As: methyl (2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate, METHYL 4-CHLORO-ALPHA-CYANOCINNAMATE, methyl (Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate, 4-Chlorobenzylidenecyanoacetic acid methyl ester, methyl 3-(4-chlorophenyl)-2-cyanoprop-2-enoate
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.41998 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 428.8963 |
Chemical Identifiers
| CAS Number | 54440-99-2 |
|---|---|
| SMILES | COC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C#N |
Product Overview
Methyl 4-chloro-alpha-cyanocinnamate (CAS 54440-99-2), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: methyl (Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Methyl 4-chloro-alpha-cyanocinnamate
Property Insights of Methyl 4-chloro-alpha-cyanocinnamate
The XLogP value of 2.41998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-alpha-cyanocinnamate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 4-chloro-alpha-cyanocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloro-alpha-cyanocinnamate has 0 hydrogen bond donor(s) and 3 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 Methyl 4-chloro-alpha-cyanocinnamate?
The CAS number of Methyl 4-chloro-alpha-cyanocinnamate is 54440-99-2.
What is the molecular formula of Methyl 4-chloro-alpha-cyanocinnamate?
The molecular formula of Methyl 4-chloro-alpha-cyanocinnamate is C11H8ClNO2.
What is the molecular weight of Methyl 4-chloro-alpha-cyanocinnamate?
The molecular weight of Methyl 4-chloro-alpha-cyanocinnamate is 221.02 g/mol.
Where can I buy Methyl 4-chloro-alpha-cyanocinnamate?
You can request a quote for Methyl 4-chloro-alpha-cyanocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-alpha-cyanocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-alpha-cyanocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.