![4-[(3-Methyl-2-furoyl)amino]benzoic acid structure](/static/products/4999/499997-72-7.webp)
4-[(3-Methyl-2-furoyl)amino]benzoic acid
TL;DR: 4-[(3-Methyl-2-furoyl)amino]benzoic acid (CAS 499997-72-7) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methylfuran-2-carbonyl)amino]benzoic acid
Also Known As: 4-[(3-METHYL-2-FUROYL)AMINO]BENZOIC ACID, 4-(3-Methylfuran-2-carboxamido)benzoic acid, Boc-b-Phe(3,5-dimethoxy)-OH, 4-(3-methylfuran-2-amido)benzoic acid, 4325AE
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 499997-72-7 |
|---|---|
| SMILES | CC1=C(OC=C1)C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | ZSWWCBKLACAGSL-UHFFFAOYSA-N |
Product Overview
4-[(3-Methyl-2-furoyl)amino]benzoic acid (CAS 499997-72-7), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: 4-[(3-methylfuran-2-carbonyl)amino]benzoic acid.
Chemical Property Profile of 4-[(3-Methyl-2-furoyl)amino]benzoic acid
Property Insights of 4-[(3-Methyl-2-furoyl)amino]benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Methyl-2-furoyl)amino]benzoic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Methyl-2-furoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(3-Methyl-2-furoyl)amino]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-[(3-Methyl-2-furoyl)amino]benzoic acid?
The CAS number of 4-[(3-Methyl-2-furoyl)amino]benzoic acid is 499997-72-7.
What is the molecular formula of 4-[(3-Methyl-2-furoyl)amino]benzoic acid?
The molecular formula of 4-[(3-Methyl-2-furoyl)amino]benzoic acid is C13H11NO4.
What is the molecular weight of 4-[(3-Methyl-2-furoyl)amino]benzoic acid?
The molecular weight of 4-[(3-Methyl-2-furoyl)amino]benzoic acid is 245.07 g/mol.
Where can I buy 4-[(3-Methyl-2-furoyl)amino]benzoic acid?
You can request a quote for 4-[(3-Methyl-2-furoyl)amino]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-[(3-Methyl-2-furoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Methyl-2-furoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.