3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 879996-65-3) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde, 5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde, 5-(3-Chloro-4-ethoxy-phenyl)-1H-pyrazole-4- carbaldehyde, 5-(3-chloro-4-ethoxy-phenyl)-1H-pyrazole-4-carbaldehyde, 896-727-3
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.9413 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 537.05194 |
Chemical Identifiers
| CAS Number | 879996-65-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=C(C=NN2)C=O)Cl |
Product Overview
3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 879996-65-3), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: 5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 2.9413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 54.98 Ų, 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde has 1 hydrogen bond donor(s) and 3 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-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde is 879996-65-3.
What is the molecular formula of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde is C12H11ClN2O2.
What is the molecular weight of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde is 250.05 g/mol.
Where can I buy 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-(3-chloro-4-ethoxyphenyl)-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 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.