5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde
TL;DR: 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde (CAS 38405-70-8) is a chemical compound with molecular formula C10H7ClN2O2 and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
Also Known As: 3-chloro-5-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde, 5-Chloro-3-hydroxy-1-phenyl-1H-pyrazole-4-carbaldehyde, 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde, 3-chloro-5-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde, 5-Chloro-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde
| Molecular Formula | C10H7ClN2O2 |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 1.6315 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0196 |
| Heavy Atoms | 15 |
| Complexity | 542.29517 |
Chemical Identifiers
| CAS Number | 38405-70-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=O)N2)C=O)Cl |
Product Overview
5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde (CAS 38405-70-8), with molecular formula C10H7ClN2O2 and molecular weight 222.02 g/mol. IUPAC: 3-chloro-5-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde
Property Insights of 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde
The XLogP value of 1.6315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde. With a topological polar surface area (TPSA) of 54.86 Ų, 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde 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 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde?
The CAS number of 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde is 38405-70-8.
What is the molecular formula of 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde?
The molecular formula of 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde is C10H7ClN2O2.
What is the molecular weight of 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde?
The molecular weight of 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde is 222.02 g/mol.
Where can I buy 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde?
You can request a quote for 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.