5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
TL;DR: 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde (CAS 27006-76-4) 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.
5-chloro-1,3-dimethylpyrazole-4-carbaldehyde
Also Known As: 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde, 5-chloro-1,3-dimethyl-1h-pyrazole-4-carboxaldehyde, 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde, chlorodimethylpyrazolecarbaldehyde, 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
| Molecular Formula | C6H7ClN2O |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 1.19442 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.02469 |
| Heavy Atoms | 10 |
| Complexity | 266.9567 |
Chemical Identifiers
| CAS Number | 27006-76-4 |
|---|---|
| SMILES | CC1=NN(C(=C1C=O)Cl)C |
Product Overview
5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde (CAS 27006-76-4), with molecular formula C6H7ClN2O and molecular weight 158.02 g/mol. IUPAC: 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde.
Chemical Property Profile of 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
Property Insights of 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde
The XLogP value of 1.19442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde 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 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde?
The CAS number of 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde is 27006-76-4.
What is the molecular formula of 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde?
The molecular formula of 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde is C6H7ClN2O.
What is the molecular weight of 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde?
The molecular weight of 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde is 158.02 g/mol.
Where can I buy 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde?
You can request a quote for 5-Chloro-1,3-dimethylpyrazole-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-1,3-dimethylpyrazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.