2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid
TL;DR: 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid (CAS 1004192-94-2) is a chemical compound with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloropyrazol-1-yl)-2-methylpropanoic acid
Also Known As: 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid, 2-(4-Chloro-pyrazol-1-yl)-2-methyl-propionic acid, 2-(4-chloropyrazol-1-yl)-2-methylPropanoic acid, 2-(4-chloropyrazol-1-yl)-2-methyl-propanoic Acid, 2-(4-chloropyrazolyl)-2-methylpropanoic acid
| Molecular Formula | C7H9ClN2O2 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 1.3562 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.03525 |
| Heavy Atoms | 12 |
| Complexity | 306.10995 |
Chemical Identifiers
| CAS Number | 1004192-94-2 |
|---|---|
| SMILES | CC(C)(C(=O)O)N1C=C(C=N1)Cl |
Product Overview
2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid (CAS 1004192-94-2), with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol. IUPAC: 2-(4-chloropyrazol-1-yl)-2-methylpropanoic acid.
Chemical Property Profile of 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid
Property Insights of 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid
The XLogP value of 1.3562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic 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 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid?
The CAS number of 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid is 1004192-94-2.
What is the molecular formula of 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid?
The molecular formula of 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid is C7H9ClN2O2.
What is the molecular weight of 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid?
The molecular weight of 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid is 188.04 g/mol.
Where can I buy 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid?
You can request a quote for 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-1H-pyrazol-1-yl)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.