Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate
TL;DR: Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate (CAS 172753-06-9) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-[(2-methylphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate
Also Known As: Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate, 2-Propenoic acid, 2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-, ethyl ester, (E)-, ethyl (E)-2-[(2-methylphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate, 2-Propenoic acid,2-[[(2-methylphenyl)amino]carbonyl]-3-(2-pyridinylamino)-, ethyl ester, (E)-(9CI), RefChem:1064495
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.88762 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 742.184 |
Chemical Identifiers
| CAS Number | 172753-06-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=CC=CC=N1)/C(=O)NC2=CC=CC=C2C |
Product Overview
Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate (CAS 172753-06-9), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: ethyl (E)-2-[(2-methylphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate.
Chemical Property Profile of Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate
Property Insights of Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate
The XLogP value of 2.88762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate. Following Lipinski's Rule of Five, Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate 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 Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate?
The CAS number of Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate is 172753-06-9.
What is the molecular formula of Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate?
The molecular formula of Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate is C18H19N3O3.
What is the molecular weight of Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate?
The molecular weight of Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate is 325.14 g/mol.
Where can I buy Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate?
You can request a quote for Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (E)-2-(((2-methylphenyl)amino)carbonyl)-3-(2-pyridinylamino)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.