3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid
TL;DR: 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid (CAS 512809-60-8) is a chemical compound with molecular formula C7H6F4N2O2 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetic acid
Also Known As: [3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetic acid|2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetic acid|2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetic acid|2-(3,5-bis(difluoromethyl)-1H-pyrazol-1-yl)acetic acid|(3,5-bis-difluoromethyl-pyrazol-1-yl)-acetic acid|3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid|3,5-Bis(difluoromethylpyrazol-1-yl)acetic acid|1H-pyrazole-1-acetic acid, 3,5-bis(difluoromethyl)-|AK-968/41170093|(3,5-Bisdifluoromethylpyrazol-1-yl)acetic acid|2-[3,5-bis(difluoromethyl)pyrazolyl]acetic acid|3,5-Bis(difluoromethyl)-1H-pyrazol-1-ylacetic acid|[3,5-bis-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid|2-(3,5-bis(difluoromethyl)-1H-pyrazol-1-yl)aceticacid|[3,5-BIS(DIFLUOROMETHYL)PYRAZOL-1-YL]ACETIC ACID|(E)-3-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)ACRYLIC ACID|RefChem:271486|MFCD03419711|ALBB-022478|EN300-83601
| Molecular Formula | C7H6F4N2O2 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 1.8429 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.03654 |
| Heavy Atoms | 15 |
| Complexity | 363.8722 |
Chemical Identifiers
| CAS Number | 512809-60-8 |
|---|---|
| SMILES | C1=C(N(N=C1C(F)F)CC(=O)O)C(F)F |
Product Overview
3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid (CAS 512809-60-8), with molecular formula C7H6F4N2O2 and molecular weight 226.04 g/mol. IUPAC: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetic acid.
Chemical Property Profile of 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid
Property Insights of 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid
The XLogP value of 1.8429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(difluoromethyl)-1H-pyrazole-1-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 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid?
The CAS number of 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid is 512809-60-8.
What is the molecular formula of 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid?
The molecular formula of 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid is C7H6F4N2O2.
What is the molecular weight of 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid?
The molecular weight of 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid is 226.04 g/mol.
Where can I buy 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid?
You can request a quote for 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(difluoromethyl)-1H-pyrazole-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.