![3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one structure](/static/products/1001/1001785-68-7.webp)
3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one
TL;DR: 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one (CAS 1001785-68-7) is a chemical compound with molecular formula C21H15ClN2O3S and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one
Also Known As: F1581-0009, 3-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one, 3-(4-((4-chlorophenyl)thio)-3,5-dimethyl-1H-pyrazole-1-carbonyl)-2H-chromen-2-one, 3-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazole-1-carbonyl}-2H-chromen-2-one, [4-(p-chlorophenylthio)-3,5-dimethyl-1-pyrazolyl](3-coumarinyl)methanone
| Molecular Formula | C21H15ClN2O3S |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 5.09944 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.0492 |
| Heavy Atoms | 28 |
| Complexity | 1259.1224 |
Chemical Identifiers
| CAS Number | 1001785-68-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)SC4=CC=C(C=C4)Cl |
Product Overview
3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one (CAS 1001785-68-7), with molecular formula C21H15ClN2O3S and molecular weight 410.05 g/mol. IUPAC: 3-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one.
Chemical Property Profile of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one
Property Insights of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one
The XLogP value of 5.09944 indicates that 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one. Following Lipinski's Rule of Five, 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one?
The CAS number of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one is 1001785-68-7.
What is the molecular formula of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one?
The molecular formula of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one is C21H15ClN2O3S.
What is the molecular weight of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one?
The molecular weight of 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one is 410.05 g/mol.
Where can I buy 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one?
You can request a quote for 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-Chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.