1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde
TL;DR: 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde (CAS 956977-55-2) is a chemical compound with molecular formula C9H13ClN2O and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-chloro-3-methylpyrazole-4-carbaldehyde
Also Known As: 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde, 1-butyl-5-chloro-3-methylpyrazole-4-carbaldehyde, 1-butyl-5-chloro-3-methyl-pyrazole-4-carbaldehyde
| Molecular Formula | C9H13ClN2O |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 2.45752 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.07164 |
| Heavy Atoms | 13 |
| Complexity | 306.8085 |
Chemical Identifiers
| CAS Number | 956977-55-2 |
|---|---|
| SMILES | CCCCN1C(=C(C(=N1)C)C=O)Cl |
Product Overview
1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde (CAS 956977-55-2), with molecular formula C9H13ClN2O and molecular weight 200.07 g/mol. IUPAC: 1-butyl-5-chloro-3-methylpyrazole-4-carbaldehyde.
Chemical Property Profile of 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde
Property Insights of 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 2.45752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-5-chloro-3-methyl-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-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde is 956977-55-2.
What is the molecular formula of 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde is C9H13ClN2O.
What is the molecular weight of 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde is 200.07 g/mol.
Where can I buy 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-butyl-5-chloro-3-methyl-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-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.