![N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester structure](/static/products/3214/321432-13-7.webp)
N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester
TL;DR: N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester (CAS 321432-13-7) is a chemical compound with molecular formula C13H11Cl2N3O3 and molecular weight 327.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-cyano-3-(2,4-dichloroanilino)prop-2-enoyl]carbamate
Also Known As: ethyl N-[2-cyano-3-(2,4-dichloroanilino)acryloyl]carbamate, ethyl N-[2-cyano-3-(2,4-dichloroanilino)prop-2-enoyl]carbamate, N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester, Ethyl [2-cyano-3-(2,4-dichloroanilino)prop-2-enoyl]carbamate, Carbamic acid, [2-cyano-3-[(2,4-dichlorophenyl)amino]-1-oxo-2-propenyl]-, ethyl ester
| Molecular Formula | C13H11Cl2N3O3 |
|---|---|
| Molecular Weight | 327.02 g/mol |
| LogP | 3.08548 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.01776 |
| Heavy Atoms | 21 |
| Complexity | 623.57776 |
Chemical Identifiers
| CAS Number | 321432-13-7 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNC1=C(C=C(C=C1)Cl)Cl)C#N |
Product Overview
N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester (CAS 321432-13-7), with molecular formula C13H11Cl2N3O3 and molecular weight 327.02 g/mol. IUPAC: ethyl N-[2-cyano-3-(2,4-dichloroanilino)prop-2-enoyl]carbamate.
Chemical Property Profile of N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester
Property Insights of N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester
The XLogP value of 3.08548 indicates that N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester. Following Lipinski's Rule of Five, N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester has 2 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 N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester?
The CAS number of N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester is 321432-13-7.
What is the molecular formula of N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester?
The molecular formula of N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester is C13H11Cl2N3O3.
What is the molecular weight of N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester?
The molecular weight of N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester is 327.02 g/mol.
Where can I buy N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester?
You can request a quote for N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.