N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine
TL;DR: N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine (CAS 189109-01-1) is a chemical compound with molecular formula C13H13ClN4O2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[(E)-aminomethylideneamino]-3-(4-chloroanilino)-2-cyanoprop-2-enoate
Also Known As: N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine, Ethyl 3-((4-chlorophenyl)amino)-2-cyano-3-((iminomethyl)amino)-2-propenoate, 2-Propenoic acid, 3-((4-chlorophenyl)amino)-2-cyano-3-((iminomethyl)amino)-, ethyl ester, ethyl (E)-3-[(E)-aminomethylideneamino]-3-(4-chloroanilino)-2-cyanoprop-2-enoate, ETHYL 3-((4-CHLOROPHENYL)AMINO)-2-CYANO-3-((IMINOMETHYL)AMINO)-2-PROPE NOATE
| Molecular Formula | C13H13ClN4O2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 2.03718 |
| Topological Polar Surface Area | 100.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.0727 |
| Heavy Atoms | 20 |
| Complexity | 573.0291 |
Chemical Identifiers
| CAS Number | 189109-01-1 |
|---|---|
| SMILES | CCOC(=O)/C(=C(\NC1=CC=C(C=C1)Cl)/N=C/N)/C#N |
Product Overview
N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine (CAS 189109-01-1), with molecular formula C13H13ClN4O2 and molecular weight 292.07 g/mol. IUPAC: ethyl (E)-3-[(E)-aminomethylideneamino]-3-(4-chloroanilino)-2-cyanoprop-2-enoate.
Chemical Property Profile of N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine
Property Insights of N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine
The XLogP value of 2.03718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine. The TPSA of 100.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine. Following Lipinski's Rule of Five, N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine 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-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine?
The CAS number of N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine is 189109-01-1.
What is the molecular formula of N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine?
The molecular formula of N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine is C13H13ClN4O2.
What is the molecular weight of N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine?
The molecular weight of N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine is 292.07 g/mol.
Where can I buy N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine?
You can request a quote for N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Carbethoxy-2-cyano-1-(4-chloroaniline)vinyl)formamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.