3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole
TL;DR: 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole (CAS 87268-48-2) is a chemical compound with molecular formula C8H13ClN2O and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethyl)-3-ethoxy-5-methyl-1H-pyrazole
Also Known As: 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole, 3-methyl-5-ethoxy-4-(2-chloroethyl)pyrazole, 4-(2-chloroethyl)-3-ethoxy-5-methyl-1H-pyrazole, 4-(2-chloroethyl)-5-ethoxy-3-methyl-1H-pyrazole
| Molecular Formula | C8H13ClN2O |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 1.89812 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.07164 |
| Heavy Atoms | 12 |
| Complexity | 247.20595 |
Chemical Identifiers
| CAS Number | 87268-48-2 |
|---|---|
| SMILES | CCOC1=NNC(=C1CCCl)C |
Product Overview
3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole (CAS 87268-48-2), with molecular formula C8H13ClN2O and molecular weight 188.07 g/mol. IUPAC: 4-(2-chloroethyl)-3-ethoxy-5-methyl-1H-pyrazole.
Chemical Property Profile of 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole
Property Insights of 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole
The XLogP value of 1.89812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole. With a topological polar surface area (TPSA) of 37.91 Ų, 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole 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-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole?
The CAS number of 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole is 87268-48-2.
What is the molecular formula of 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole?
The molecular formula of 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole is C8H13ClN2O.
What is the molecular weight of 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole?
The molecular weight of 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole is 188.07 g/mol.
Where can I buy 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole?
You can request a quote for 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(2-chloroethyl)-5-ethoxy-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.