(2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
TL;DR: (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 5118-97-8) is a chemical compound with molecular formula C12H9ClF2N2O and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4,5-difluorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: BIM-0004984.P001, (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone, (2-chloro-4,5-difluorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone, 1-(2-chloro-4,5-difluorobenzoyl)-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C12H9ClF2N2O |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.03714 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 5118-97-8 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC(=C(C=C2Cl)F)F)C |
| InChIKey | DBJWNESIFWBTAJ-UHFFFAOYSA-N |
Product Overview
(2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 5118-97-8), with molecular formula C12H9ClF2N2O and molecular weight 270.04 g/mol. IUPAC: (2-chloro-4,5-difluorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Property Insights of (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
The XLogP value of 3.4 indicates that (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone has 0 hydrogen bond donor(s) and 4 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 (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The CAS number of (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 5118-97-8.
What is the molecular formula of (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular formula of (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is C12H9ClF2N2O.
What is the molecular weight of (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular weight of (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 270.04 g/mol.
Where can I buy (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
You can request a quote for (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.