(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
TL;DR: (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid (CAS 378758-70-4) is a chemical compound with molecular formula C7H6ClF3N2O2 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
Also Known As: (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid, DODECYLAMINEHYDROCHLORIDE, 2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid, BAS 01058351, 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
| Molecular Formula | C7H6ClF3N2O2 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 1.94832 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.00699 |
| Heavy Atoms | 15 |
| Complexity | 399.67493 |
Chemical Identifiers
| CAS Number | 378758-70-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)O)C(F)(F)F)Cl |
Product Overview
(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid (CAS 378758-70-4), with molecular formula C7H6ClF3N2O2 and molecular weight 242.01 g/mol. IUPAC: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
Chemical Property Profile of (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
Property Insights of (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
The XLogP value of 1.94832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic 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-3-trifluoromethyl-pyrazol-1-yl)-acetic acid?
The CAS number of (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid is 378758-70-4.
What is the molecular formula of (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid?
The molecular formula of (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid is C7H6ClF3N2O2.
What is the molecular weight of (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid?
The molecular weight of (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid is 242.01 g/mol.
Where can I buy (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid?
You can request a quote for (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic 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-3-trifluoromethyl-pyrazol-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.