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[(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
TL;DR: [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 389620-35-3) 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-(3,4-dimethylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: AB00767954-01, [(3,4-dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate, [2-(3,4-dimethylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
| Molecular Formula | C16H15ClN2O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 3.14734 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.07712 |
| Heavy Atoms | 22 |
| Complexity | 716.2872 |
Chemical Identifiers
| CAS Number | 389620-35-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl)C |
Product Overview
[(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 389620-35-3), with molecular formula C16H15ClN2O3 and molecular weight 318.08 g/mol. IUPAC: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
Property Insights of [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
The XLogP value of 3.14734 indicates that [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate has 1 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 [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The CAS number of [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 389620-35-3.
What is the molecular formula of [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular formula of [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is C16H15ClN2O3.
What is the molecular weight of [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular weight of [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 318.08 g/mol.
Where can I buy [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
You can request a quote for [(3,4-Dimethylphenyl)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 [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(3,4-Dimethylphenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.