![4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid structure](/static/products/830/830339-62-3.png)
4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid
TL;DR: 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid (CAS 830339-62-3) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5-methylthiophene-3-carbonyl)amino]methyl]benzoic acid
Also Known As: 4-[[(5-methylthiophene-3-carbonyl)amino]methyl]benzoic Acid, 4-((5-methylthiophene-3-carboxamido)methyl)benzoic acid, 4-{[(5-methyl-3-thienyl)carbonylamino]methyl}benzoic acid, 4-({[(5-METHYL-3-THIENYL)CARBONYL]AMINO}METHYL)BENZOIC ACID, 4-({[(5-methylthiophen-3-yl)carbonyl]amino}methyl)benzoic acid
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 2.68472 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 601.40857 |
Chemical Identifiers
| CAS Number | 830339-62-3 |
|---|---|
| SMILES | CC1=CC(=CS1)C(=O)NCC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid (CAS 830339-62-3), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: 4-[[(5-methylthiophene-3-carbonyl)amino]methyl]benzoic acid.
Chemical Property Profile of 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid
Property Insights of 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid
The XLogP value of 2.68472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid has 2 hydrogen bond donor(s) and 3 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-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid?
The CAS number of 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid is 830339-62-3.
What is the molecular formula of 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid?
The molecular formula of 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid is C14H13NO3S.
What is the molecular weight of 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid?
The molecular weight of 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid is 275.06 g/mol.
Where can I buy 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid?
You can request a quote for 4-{[(5-Methyl-3-thienyl)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-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5-Methyl-3-thienyl)carbonylamino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.