1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde (CAS 864723-36-4) is a chemical compound with molecular formula C6H7ClN2O and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)pyrazole-4-carbaldehyde
Also Known As: 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde, 1-(2-chloroethyl)pyrazole-4-carbaldehyde, 1- -1H-pyrazole-4-carbaldehyde, 1-(2-chloroethyl)-4-formylpyrazole, 1H-Pyrazole-4-carboxaldehyde, 1-(2-chloroethyl)-
| Molecular Formula | C6H7ClN2O |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 0.9344 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.02469 |
| Heavy Atoms | 10 |
| Complexity | 221.27733 |
Chemical Identifiers
| CAS Number | 864723-36-4 |
|---|---|
| SMILES | C1=C(C=NN1CCCl)C=O |
Product Overview
1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde (CAS 864723-36-4), with molecular formula C6H7ClN2O and molecular weight 158.02 g/mol. IUPAC: 1-(2-chloroethyl)pyrazole-4-carbaldehyde.
Chemical Property Profile of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 0.9344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde 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 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde is 864723-36-4.
What is the molecular formula of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde is C6H7ClN2O.
What is the molecular weight of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde is 158.02 g/mol.
Where can I buy 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.