N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
TL;DR: N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid (CAS 34798-68-0) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylpyrazol-3-yl)amino]benzoic acid
Also Known As: 2-[(2,5-dimethylpyrazol-3-yl)amino]benzoic acid, 2-((1,3-Dimethyl-1H-pyrazol-5-yl)amino)benzoic acid, 2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]benzoic acid, N-[1,3-Dimethylpyrazo-5-yl]anthranilic acid, N-(1,3-dimethyl-5-pyrazolyl)anthanilic acid
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 34798-68-0 |
|---|---|
| SMILES | CC1=NN(C(=C1)NC2=CC=CC=C2C(=O)O)C |
| InChIKey | YCWUYQQRIHWNLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid (CAS 34798-68-0), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 2-[(2,5-dimethylpyrazol-3-yl)amino]benzoic acid.
Chemical Property Profile of N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
Property Insights of N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid. Following Lipinski's Rule of Five, N-(1,3-Dimethyl-5-pyrazolyl)anthranilic 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 N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid?
The CAS number of N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid is 34798-68-0.
What is the molecular formula of N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid?
The molecular formula of N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid is C12H13N3O2.
What is the molecular weight of N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid?
The molecular weight of N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid is 231.10 g/mol.
Where can I buy N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid?
You can request a quote for N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.