5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime
TL;DR: 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime (CAS 27006-86-6) is a chemical compound with molecular formula C6H8ClN3O and molecular weight 173.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylidene]hydroxylamine
Also Known As: starbld0044508, 5-chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime, N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]hydroxylamine, 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde oxime, J1.895.453B
| Molecular Formula | C6H8ClN3O |
|---|---|
| Molecular Weight | 173.04 g/mol |
| LogP | 1.19002 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.03558 |
| Heavy Atoms | 11 |
| Complexity | 292.26266 |
Chemical Identifiers
| CAS Number | 27006-86-6 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=N/O)Cl)C |
Product Overview
5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime (CAS 27006-86-6), with molecular formula C6H8ClN3O and molecular weight 173.04 g/mol. IUPAC: (NE)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylidene]hydroxylamine.
Chemical Property Profile of 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime
Property Insights of 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime
The XLogP value of 1.19002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime. With a topological polar surface area (TPSA) of 50.41 Ų, 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime 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 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime?
The CAS number of 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime is 27006-86-6.
What is the molecular formula of 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime?
The molecular formula of 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime is C6H8ClN3O.
What is the molecular weight of 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime?
The molecular weight of 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime is 173.04 g/mol.
Where can I buy 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime?
You can request a quote for 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime 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-dimethyl-1h-pyrazole-4-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.