S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate
TL;DR: S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate (CAS 164398-62-3) is a chemical compound with molecular formula C22H16N2O3S2 and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] benzenecarbothioate
Also Known As: S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate, S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] benzenecarbothioate, {[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}(phenyl)methanone, F0172-0012, S-[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl] benzenecarbothioate
| Molecular Formula | C22H16N2O3S2 |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 4.842 |
| Topological Polar Surface Area | 79.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.06024 |
| Heavy Atoms | 29 |
| Complexity | 1237.239 |
Chemical Identifiers
| CAS Number | 164398-62-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4 |
Product Overview
S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate (CAS 164398-62-3), with molecular formula C22H16N2O3S2 and molecular weight 420.06 g/mol. IUPAC: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] benzenecarbothioate.
Chemical Property Profile of S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate
Property Insights of S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate
The XLogP value of 4.842 indicates that S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate 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-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate. Following Lipinski's Rule of Five, S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate has 1 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 S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate?
The CAS number of S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate is 164398-62-3.
What is the molecular formula of S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate?
The molecular formula of S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate is C22H16N2O3S2.
What is the molecular weight of S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate?
The molecular weight of S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate is 420.06 g/mol.
Where can I buy S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate?
You can request a quote for S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate 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-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl) benzothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.