4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
TL;DR: 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid (CAS 926257-72-9) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoic acid
Also Known As: 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid, 4-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-benzoic acid, 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoic acid, BAS 12589289, 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.84074 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 572.9367 |
Chemical Identifiers
| CAS Number | 926257-72-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)Cl |
Product Overview
4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid (CAS 926257-72-9), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoic acid.
Chemical Property Profile of 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
Property Insights of 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 2.84074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 2 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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid is 926257-72-9.
What is the molecular formula of 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid is C12H11ClN2O2.
What is the molecular weight of 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid is 250.05 g/mol.
Where can I buy 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.