![2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid structure](/static/products/6918/691850-55-2.webp)
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid
TL;DR: 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid (CAS 691850-55-2) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic acid
Also Known As: Benzoicacid,2-[[ amino]carbonyl]-, 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid, 2-{[(1,3-dimethyl-1H-pyrazol-5-yl)amino]carbonyl}benzoic acid, Benzoic acid, 2-[[(1,3-dimethyl-1H-pyrazol-5-yl)amino]carbonyl]- (9CI), 2-[(1,3-dimethyl-1H-pyrazol-5-yl)carbamoyl]benzoic acid
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.67902 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 646.33307 |
Chemical Identifiers
| CAS Number | 691850-55-2 |
|---|---|
| SMILES | CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2C(=O)O)C |
Product Overview
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid (CAS 691850-55-2), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid
Property Insights of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid
The XLogP value of 1.67902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid. Following Lipinski's Rule of Five, 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]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 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid?
The CAS number of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid is 691850-55-2.
What is the molecular formula of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid?
The molecular formula of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid is C13H13N3O3.
What is the molecular weight of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid?
The molecular weight of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid is 259.10 g/mol.
Where can I buy 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid?
You can request a quote for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.