((p-Chlorophenyl)azo)cyanoacetic acid methyl ester
TL;DR: ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester (CAS 60194-81-2) is a chemical compound with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorophenyl)diazenyl]-2-cyanoacetate
Also Known As: ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester, 4-Chlor-phenyl-azo-cyanessigsaeure-methyl-ester, 4-Chlor-phenyl-azo-cyanessigsaeure-methyl-ester [German], Acetic acid, ((4-chlorophenyl)azo)cyano-, methyl ester, methyl 2-[(4-chlorophenyl)diazenyl]-2-cyanoacetate
| Molecular Formula | C10H8ClN3O2 |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.0305 |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 60194-81-2 |
|---|---|
| SMILES | COC(=O)C(C#N)N=NC1=CC=C(C=C1)Cl |
| InChIKey | KZUCEIVZTJLBSQ-UHFFFAOYSA-N |
Product Overview
((p-Chlorophenyl)azo)cyanoacetic acid methyl ester (CAS 60194-81-2), with molecular formula C10H8ClN3O2 and molecular weight 237.03 g/mol. IUPAC: methyl 2-[(4-chlorophenyl)diazenyl]-2-cyanoacetate.
Chemical Property Profile of ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester
Property Insights of ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester. Following Lipinski's Rule of Five, ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester has 0 hydrogen bond donor(s) and 5 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 ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester?
The CAS number of ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester is 60194-81-2.
What is the molecular formula of ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester?
The molecular formula of ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester is C10H8ClN3O2.
What is the molecular weight of ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester?
The molecular weight of ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester is 237.03 g/mol.
Where can I buy ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester?
You can request a quote for ((p-Chlorophenyl)azo)cyanoacetic 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 ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for ((p-Chlorophenyl)azo)cyanoacetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.