3-(4-chloro-1H-pyrazol-1-yl)propanoic acid
TL;DR: 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid (CAS 946699-13-4) is a chemical compound with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloropyrazol-1-yl)propanoic acid
Also Known As: 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid, 3-(4-chloropyrazol-1-yl)propanoic Acid, ISOTHIAZOLE,3-BROMO-, 3-(4-chloropyrazolyl)propanoic acid, 3-(4-Chloro-pyrazol-1-yl)-propionic acid
| Molecular Formula | C6H7ClN2O2 |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 1.0112 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.0196 |
| Heavy Atoms | 11 |
| Complexity | 258.8399 |
Chemical Identifiers
| CAS Number | 946699-13-4 |
|---|---|
| SMILES | C1=C(C=NN1CCC(=O)O)Cl |
Product Overview
3-(4-chloro-1H-pyrazol-1-yl)propanoic acid (CAS 946699-13-4), with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol. IUPAC: 3-(4-chloropyrazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid
Property Insights of 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid
The XLogP value of 1.0112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chloro-1H-pyrazol-1-yl)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 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid?
The CAS number of 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid is 946699-13-4.
What is the molecular formula of 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid?
The molecular formula of 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid is C6H7ClN2O2.
What is the molecular weight of 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid?
The molecular weight of 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid is 174.02 g/mol.
Where can I buy 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid?
You can request a quote for 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chloro-1H-pyrazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.