Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate
TL;DR: Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate (CAS 176736-75-7) is a chemical compound with molecular formula C11H7Cl2NO2 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate
Also Known As: methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(2,3-dichlorophenyl)-, methyl ester
| Molecular Formula | C11H7Cl2NO2 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 3.07338 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.98538 |
| Heavy Atoms | 16 |
| Complexity | 489.2482 |
Chemical Identifiers
| CAS Number | 176736-75-7 |
|---|---|
| SMILES | COC(=O)C(=CC1=C(C(=CC=C1)Cl)Cl)C#N |
Product Overview
Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate (CAS 176736-75-7), with molecular formula C11H7Cl2NO2 and molecular weight 254.99 g/mol. IUPAC: methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate
Property Insights of Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate
The XLogP value of 3.07338 indicates that Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate 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 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate?
The CAS number of Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate is 176736-75-7.
What is the molecular formula of Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate?
The molecular formula of Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate is C11H7Cl2NO2.
What is the molecular weight of Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate?
The molecular weight of Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate is 254.99 g/mol.
Where can I buy Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate?
You can request a quote for Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.