5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde
TL;DR: 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde (CAS 885-44-9) is a chemical compound with molecular formula C9H11ClN2O3S and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazole-4-carbaldehyde
Also Known As: 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde, 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazole-4-carbaldehyde, 5-CHLORO-1-(1,1-DIOXIDOTETRAHYDROTHIOPHEN-3-YL)-3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE, AB00723081-01, 1H-Pyrazole-4-carboxaldehyde,5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-
| Molecular Formula | C9H11ClN2O3S |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 1.01702 |
| Topological Polar Surface Area | 69.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.01788 |
| Heavy Atoms | 16 |
| Complexity | 535.19415 |
Chemical Identifiers
| CAS Number | 885-44-9 |
|---|---|
| SMILES | CC1=NN(C(=C1C=O)Cl)C2CCS(=O)(=O)C2 |
Product Overview
5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde (CAS 885-44-9), with molecular formula C9H11ClN2O3S and molecular weight 262.02 g/mol. IUPAC: 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazole-4-carbaldehyde.
Chemical Property Profile of 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde
Property Insights of 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.01702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde. The TPSA of 69.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde. Following Lipinski's Rule of Five, 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde has 0 hydrogen bond donor(s) and 4 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-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde?
The CAS number of 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde is 885-44-9.
What is the molecular formula of 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular formula of 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde is C9H11ClN2O3S.
What is the molecular weight of 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde?
The molecular weight of 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde is 262.02 g/mol.
Where can I buy 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde?
You can request a quote for 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-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 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.