![methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate structure](/static/products/4497/449778-53-4.webp)
methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
TL;DR: methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate (CAS 449778-53-4) is a chemical compound with molecular formula C18H13ClN2O3S and molecular weight 372.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-chlorophenyl)sulfanyl-4-formyl-1-phenylpyrazole-3-carboxylate
Also Known As: methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate, Methyl 5-((4-chlorophenyl)thio)-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate, 12M-541S, methyl 5-(4-chlorophenyl)sulfanyl-4-formyl-1-phenylpyrazole-3-carboxylate, methylchlorophenylsulfanylformylphenylpyrazolecarboxylate
| Molecular Formula | C18H13ClN2O3S |
|---|---|
| Molecular Weight | 372.03 g/mol |
| LogP | 4.276 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.03354 |
| Heavy Atoms | 25 |
| Complexity | 908.07556 |
Chemical Identifiers
| CAS Number | 449778-53-4 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=C1C=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate (CAS 449778-53-4), with molecular formula C18H13ClN2O3S and molecular weight 372.03 g/mol. IUPAC: methyl 5-(4-chlorophenyl)sulfanyl-4-formyl-1-phenylpyrazole-3-carboxylate.
Chemical Property Profile of methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
Property Insights of methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
The XLogP value of 4.276 indicates that methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
The CAS number of methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate is 449778-53-4.
What is the molecular formula of methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular formula of methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate is C18H13ClN2O3S.
What is the molecular weight of methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular weight of methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate is 372.03 g/mol.
Where can I buy methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
You can request a quote for methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[(4-chlorophenyl)sulfanyl]-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.