4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid
TL;DR: 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid (CAS 180741-47-3) 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.
3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
Also Known As: 3-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoic acid, 3-(4-Chloro-5-methyl-1H-pyrazol-1-yl)-propanoic acid, 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid, 6061AD, 3-(4-chloro-5-methyl-pyrazol-1-yl)propanoic Acid
| Molecular Formula | C7H9ClN2O2 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 1.31962 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.03525 |
| Heavy Atoms | 12 |
| Complexity | 295.59653 |
Chemical Identifiers
| CAS Number | 180741-47-3 |
|---|---|
| SMILES | CC1=C(C=NN1CCC(=O)O)Cl |
Product Overview
4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid (CAS 180741-47-3), with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol. IUPAC: 3-(4-chloro-5-methylpyrazol-1-yl)propanoic acid.
Chemical Property Profile of 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid
Property Insights of 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid
The XLogP value of 1.31962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5-methyl-1H-pyrazole-1-propanoic 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-Chloro-5-methyl-1H-pyrazole-1-propanoic acid?
The CAS number of 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid is 180741-47-3.
What is the molecular formula of 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid?
The molecular formula of 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid is C7H9ClN2O2.
What is the molecular weight of 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid?
The molecular weight of 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid is 188.04 g/mol.
Where can I buy 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid?
You can request a quote for 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-methyl-1H-pyrazole-1-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.