![Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate structure](/static/products/1730/173056-64-9.webp)
Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate
TL;DR: Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate (CAS 173056-64-9) is a chemical compound with molecular formula C14H11BrN2O3 and molecular weight 334.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate
Also Known As: methyl 2-(5-bromonicotinamido)benzoate, methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate, AN-652/14045057, methyl 2-{[(5-bromo-3-pyridinyl)carbonyl]amino}benzoate, methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate
| Molecular Formula | C14H11BrN2O3 |
|---|---|
| Molecular Weight | 334.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.9953 |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 173056-64-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CN=C2)Br |
| InChIKey | LMRCWCWWSZTHTB-UHFFFAOYSA-N |
Product Overview
Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate (CAS 173056-64-9), with molecular formula C14H11BrN2O3 and molecular weight 334.00 g/mol. IUPAC: methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate
Property Insights of Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}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 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate?
The CAS number of Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate is 173056-64-9.
What is the molecular formula of Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate?
The molecular formula of Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate is C14H11BrN2O3.
What is the molecular weight of Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate?
The molecular weight of Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate is 334.00 g/mol.
Where can I buy Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate?
You can request a quote for Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(5-bromopyridin-3-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.