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[Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
TL;DR: [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 722490-43-9) is a chemical compound with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(N-ethylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: AB00716475-01, [ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate, [2-(N-ethylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate, (ethyl-phenyl-carbamoyl)methyl 2-chloropyridine-3-carboxylate, 2-[ethyl(phenyl)amino]-2-oxoethyl 2-chloropyridine-3-carboxylate
| Molecular Formula | C16H15ClN2O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 2.9449 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.07712 |
| Heavy Atoms | 22 |
| Complexity | 661.4503 |
Chemical Identifiers
| CAS Number | 722490-43-9 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl |
Product Overview
[Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 722490-43-9), with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol. IUPAC: [2-(N-ethylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
Property Insights of [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
The XLogP value of 2.9449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 59.5 Ų, [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The CAS number of [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 722490-43-9.
What is the molecular formula of [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular formula of [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is C16H15ClN2O3.
What is the molecular weight of [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular weight of [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 318.08 g/mol.
Where can I buy [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
You can request a quote for [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [Ethyl(phenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.