2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester (CAS 55417-50-0) is a chemical compound with molecular formula C12H9Cl2NO2 and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3,4-dichlorophenyl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(3,4-dichlorophenyl)prop-2-enoate, Ethyl 2-cyano-3-(3,4-dichlorophenyl)acrylate, 4-AMINO-2-HYDROXYBENZHYDRAZIDE, Ethyl 3,4-dichlorobenzylidenecyanoacetate, 2-Cyano-3-(3,4-dichloro-phenyl)-acrylic acid ethyl ester
| Molecular Formula | C12H9Cl2NO2 |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.00104 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 55417-50-0 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C#N |
| InChIKey | BAGNYLHFEFULOF-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester (CAS 55417-50-0), with molecular formula C12H9Cl2NO2 and molecular weight 269.00 g/mol. IUPAC: ethyl 2-cyano-3-(3,4-dichlorophenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester
The XLogP value of 4.0 indicates that 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester 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 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester is 55417-50-0.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester is C12H9Cl2NO2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester is 269.00 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(3,4-dichlorophenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.