Methyl 3-(isonicotinoylamino)benzoate
TL;DR: Methyl 3-(isonicotinoylamino)benzoate (CAS 304674-83-7) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(pyridine-4-carbonylamino)benzoate
Also Known As: methyl 3-(isonicotinoylamino)benzoate, BAS 00580800, methyl 3-(4-pyridylcarbonylamino)benzoate, methyl 3-(pyridine-4-carbonylamino)benzoate, Methyl 3-[(4-pyridinylcarbonyl)amino]benzoate
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 304674-83-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=NC=C2 |
| InChIKey | CRGWRATYYFYUNF-UHFFFAOYSA-N |
Product Overview
Methyl 3-(isonicotinoylamino)benzoate (CAS 304674-83-7), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: methyl 3-(pyridine-4-carbonylamino)benzoate.
Chemical Property Profile of Methyl 3-(isonicotinoylamino)benzoate
Property Insights of Methyl 3-(isonicotinoylamino)benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(isonicotinoylamino)benzoate. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(isonicotinoylamino)benzoate. Following Lipinski's Rule of Five, Methyl 3-(isonicotinoylamino)benzoate 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 Methyl 3-(isonicotinoylamino)benzoate?
The CAS number of Methyl 3-(isonicotinoylamino)benzoate is 304674-83-7.
What is the molecular formula of Methyl 3-(isonicotinoylamino)benzoate?
The molecular formula of Methyl 3-(isonicotinoylamino)benzoate is C14H12N2O3.
What is the molecular weight of Methyl 3-(isonicotinoylamino)benzoate?
The molecular weight of Methyl 3-(isonicotinoylamino)benzoate is 256.08 g/mol.
Where can I buy Methyl 3-(isonicotinoylamino)benzoate?
You can request a quote for Methyl 3-(isonicotinoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(isonicotinoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(isonicotinoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.