![4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid structure](/static/products/100/1001518-88-2.png)
4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
TL;DR: 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid (CAS 1001518-88-2) is a chemical compound with molecular formula C13H10F4N2O2 and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]benzoic acid
Also Known As: 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid, 4-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]benzoic Acid, 4-{[3,5-bis(difluoromethyl)pyrazolyl]methyl}benzoic acid, 4-(3,5-Bis-difluoromethyl-pyrazol-1-ylmethyl)-benzoic acid, 4-((3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl)methyl)benzoic acid
| Molecular Formula | C13H10F4N2O2 |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 3.5048 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.06784 |
| Heavy Atoms | 21 |
| Complexity | 638.12085 |
Chemical Identifiers
| CAS Number | 1001518-88-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=CC(=N2)C(F)F)C(F)F)C(=O)O |
Product Overview
4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid (CAS 1001518-88-2), with molecular formula C13H10F4N2O2 and molecular weight 302.07 g/mol. IUPAC: 4-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]benzoic acid.
Chemical Property Profile of 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Property Insights of 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
The XLogP value of 3.5048 indicates that 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}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-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
The CAS number of 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid is 1001518-88-2.
What is the molecular formula of 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
The molecular formula of 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid is C13H10F4N2O2.
What is the molecular weight of 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
The molecular weight of 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid is 302.07 g/mol.
Where can I buy 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
You can request a quote for 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}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-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.