Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
TL;DR: Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride (CAS 51658-07-2) is a chemical compound with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate chloride
Also Known As: 2-((3-Pyridinylcarbonyl)amino)benzoic acid methyl ester monohydrochloride, methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate;chloride, BENZOIC ACID, 2-((3-PYRIDINYLCARBONYL)AMINO)-, METHYL ESTER, MONOHYDROCHLORIDE, methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate chloride, 3-({[2-(methoxycarbonyl)phenyl]amino}carbonyl)pyridinium chloride
| Molecular Formula | C14H13ClN2O3 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.06146 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
| Solubility | >43.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 51658-07-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=C[NH+]=CC=C2.[Cl-] |
| InChIKey | HSJJACLQQPQZDP-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride (CAS 51658-07-2), with molecular formula C14H13ClN2O3 and molecular weight 292.06 g/mol. IUPAC: methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate chloride.
Chemical Property Profile of Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
Property Insights of Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
The XLogP value of -1.46 indicates that Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride has 2 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 Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride?
The CAS number of Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride is 51658-07-2.
What is the molecular formula of Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride?
The molecular formula of Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride is C14H13ClN2O3.
What is the molecular weight of Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride?
The molecular weight of Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride is 292.06 g/mol.
Where can I buy Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride?
You can request a quote for Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.