![4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid structure](/static/products/830/830338-90-4.png)
4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid
TL;DR: 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid (CAS 830338-90-4) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]benzoic acid
Also Known As: 4-((5-methylisoxazole-3-carboxamido)methyl)benzoic acid, 4-[[(5-methyl1,2-oxazole-3-carbonyl)amino]methyl]benzoic Acid, 4-{[(5-methyl-1,2-oxazol-3-yl)formamido]methyl}benzoic acid, 4-{[(5-methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid, 4-({[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}methyl)benzoic acid
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 1.61122 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 601.3607 |
Chemical Identifiers
| CAS Number | 830338-90-4 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)NCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid (CAS 830338-90-4), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: 4-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]benzoic acid.
Chemical Property Profile of 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid
Property Insights of 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid
The XLogP value of 1.61122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid 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 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid?
The CAS number of 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid is 830338-90-4.
What is the molecular formula of 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid?
The molecular formula of 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid is C13H12N2O4.
What is the molecular weight of 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid?
The molecular weight of 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid is 260.08 g/mol.
Where can I buy 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid?
You can request a quote for 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5-Methylisoxazol-3-yl)carbonylamino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.