4-chloro-1-(chloromethyl)-1H-pyrazole
TL;DR: 4-chloro-1-(chloromethyl)-1H-pyrazole (CAS 80199-87-7) is a chemical compound with molecular formula C4H4Cl2N2 and molecular weight 149.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(chloromethyl)pyrazole
Also Known As: 4-chloro-1-(chloromethyl)-1H-pyrazole, 4-chloro-1-(chloromethyl)pyrazole, 4-Chloro-1-chloromethyl-1H-pyrazole, 1H-Pyrazole, 4-chloro-1-(chloromethyl)-, 991-103-8
| Molecular Formula | C4H4Cl2N2 |
|---|---|
| Molecular Weight | 149.98 g/mol |
| LogP | 1.7328 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.97516 |
| Heavy Atoms | 8 |
| Complexity | 172.30116 |
Chemical Identifiers
| CAS Number | 80199-87-7 |
|---|---|
| SMILES | C1=C(C=NN1CCl)Cl |
Product Overview
4-chloro-1-(chloromethyl)-1H-pyrazole (CAS 80199-87-7), with molecular formula C4H4Cl2N2 and molecular weight 149.98 g/mol. IUPAC: 4-chloro-1-(chloromethyl)pyrazole.
Chemical Property Profile of 4-chloro-1-(chloromethyl)-1H-pyrazole
Property Insights of 4-chloro-1-(chloromethyl)-1H-pyrazole
The XLogP value of 1.7328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-1-(chloromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 4-chloro-1-(chloromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-1-(chloromethyl)-1H-pyrazole 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-(chloromethyl)-1H-pyrazole?
The CAS number of 4-chloro-1-(chloromethyl)-1H-pyrazole is 80199-87-7.
What is the molecular formula of 4-chloro-1-(chloromethyl)-1H-pyrazole?
The molecular formula of 4-chloro-1-(chloromethyl)-1H-pyrazole is C4H4Cl2N2.
What is the molecular weight of 4-chloro-1-(chloromethyl)-1H-pyrazole?
The molecular weight of 4-chloro-1-(chloromethyl)-1H-pyrazole is 149.98 g/mol.
Where can I buy 4-chloro-1-(chloromethyl)-1H-pyrazole?
You can request a quote for 4-chloro-1-(chloromethyl)-1H-pyrazole 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-(chloromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-(chloromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.