RefChem:355307
TL;DR: RefChem:355307 (CAS 959577-54-9) is a chemical compound with molecular formula C19H14F6N2O4S3 and molecular weight 544.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carboxylate
Also Known As: Methyl 4-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-1H-pyrazol-3-yl]-3-methyl-5-(methylthio)-2-thiophenecarboxylate, Methyl 4-(1-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)-1H-pyrazol-3-yl)-3-methyl-5-(methylthio)-2-thiophenecarboxylate, methyl 4-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carboxylate, RefChem:355307
| Molecular Formula | C19H14F6N2O4S3 |
|---|---|
| Molecular Weight | 544.00 g/mol |
| LogP | 5.70312 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.002 |
| Heavy Atoms | 34 |
| Complexity | 1324.9993 |
Chemical Identifiers
| CAS Number | 959577-54-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C2=NN(C=C2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)SC)C(=O)OC |
Product Overview
RefChem:355307 (CAS 959577-54-9), with molecular formula C19H14F6N2O4S3 and molecular weight 544.00 g/mol. IUPAC: methyl 4-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of RefChem:355307
Property Insights of RefChem:355307
The XLogP value of 5.70312 indicates that RefChem:355307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:355307. Following Lipinski's Rule of Five, RefChem:355307 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:355307?
The CAS number of RefChem:355307 is 959577-54-9.
What is the molecular formula of RefChem:355307?
The molecular formula of RefChem:355307 is C19H14F6N2O4S3.
What is the molecular weight of RefChem:355307?
The molecular weight of RefChem:355307 is 544.00 g/mol.
Where can I buy RefChem:355307?
You can request a quote for RefChem:355307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:355307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:355307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.