S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate
TL;DR: S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate (CAS 324050-23-9) is a chemical compound with molecular formula C24H20N2O3S2 and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl] 4-methylbenzenecarbothioate
Also Known As: BAS 00918031, BIM-0001045.P001, AB00674383-01, BRD-K96867407-001-01-9, S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate
| Molecular Formula | C24H20N2O3S2 |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 5.45884 |
| Topological Polar Surface Area | 79.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.09152 |
| Heavy Atoms | 31 |
| Complexity | 1326.107 |
Chemical Identifiers
| CAS Number | 324050-23-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)SC2=C(NC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate (CAS 324050-23-9), with molecular formula C24H20N2O3S2 and molecular weight 448.09 g/mol. IUPAC: S-[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl] 4-methylbenzenecarbothioate.
Chemical Property Profile of S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate
Property Insights of S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate
The XLogP value of 5.45884 indicates that S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.89 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate. Following Lipinski's Rule of Five, S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate has 1 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 S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate?
The CAS number of S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate is 324050-23-9.
What is the molecular formula of S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate?
The molecular formula of S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate is C24H20N2O3S2.
What is the molecular weight of S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate?
The molecular weight of S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate is 448.09 g/mol.
Where can I buy S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate?
You can request a quote for S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-phenyl-4-tosyl-1H-imidazol-5-yl) 4-methylbenzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.