4-Chloro-1-phenylpyrazole
TL;DR: 4-Chloro-1-phenylpyrazole (CAS 6935-99-5) is a chemical compound with molecular formula C9H7ClN2 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-phenylpyrazole
Also Known As: 4-Chloro-1-phenylpyrazole, 4-Chloro-1-phenyl-1H-pyrazole, Obtucarbamate A, 1-Phenyl-4-chloropyrazole, Pyrazole, 4-chloro-1-phenyl-
| Molecular Formula | C9H7ClN2 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02977 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 6935-99-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C=N2)Cl |
| InChIKey | OAWHISBYSDFHHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1-phenylpyrazole (CAS 6935-99-5), with molecular formula C9H7ClN2 and molecular weight 178.03 g/mol. IUPAC: 4-chloro-1-phenylpyrazole.
Chemical Property Profile of 4-Chloro-1-phenylpyrazole
Property Insights of 4-Chloro-1-phenylpyrazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-phenylpyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 4-Chloro-1-phenylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-phenylpyrazole has 0 hydrogen bond donor(s) and 1 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-1-phenylpyrazole?
The CAS number of 4-Chloro-1-phenylpyrazole is 6935-99-5.
What is the molecular formula of 4-Chloro-1-phenylpyrazole?
The molecular formula of 4-Chloro-1-phenylpyrazole is C9H7ClN2.
What is the molecular weight of 4-Chloro-1-phenylpyrazole?
The molecular weight of 4-Chloro-1-phenylpyrazole is 178.03 g/mol.
Where can I buy 4-Chloro-1-phenylpyrazole?
You can request a quote for 4-Chloro-1-phenylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-phenylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.