5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride
TL;DR: 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride (CAS 205113-77-5) is a chemical compound with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-phenylpyrazole-4-carbonyl chloride
Also Known As: 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride, 5-methyl-1-phenylpyrazole-4-carbonyl chloride, 2-Bromo-3-chloropyridine, TIMTEC-BB SBB005474, 5-methyl-1-phenyl-pyrazole-4-carbonyl chloride
| Molecular Formula | C11H9ClN2O |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 2.55972 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.04034 |
| Heavy Atoms | 15 |
| Complexity | 490.54395 |
Chemical Identifiers
| CAS Number | 205113-77-5 |
|---|---|
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)C(=O)Cl |
Product Overview
5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride (CAS 205113-77-5), with molecular formula C11H9ClN2O and molecular weight 220.04 g/mol. IUPAC: 5-methyl-1-phenylpyrazole-4-carbonyl chloride.
Chemical Property Profile of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride
Property Insights of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride
The XLogP value of 2.55972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride has 0 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 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride?
The CAS number of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride is 205113-77-5.
What is the molecular formula of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride?
The molecular formula of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride is C11H9ClN2O.
What is the molecular weight of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride?
The molecular weight of 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride is 220.04 g/mol.
Where can I buy 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride?
You can request a quote for 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.