biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)
TL;DR: biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) (CAS 70786-69-5) is a chemical compound with molecular formula C23H22N2O4S2 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;4-phenylbenzenesulfonic acid
Also Known As: biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1), 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone,4-, 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone,4-phenylbenzenesulfonic acid, 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone; 4-phenylbenzenesulfonic acid, Biphenyl-4-sulfonic acid-2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)
| Molecular Formula | C23H22N2O4S2 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 4.162 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.1021 |
| Heavy Atoms | 31 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 70786-69-5 |
|---|---|
| SMILES | C1CN=C(N1)SCC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | NCVKJZGUXQGENV-UHFFFAOYSA-N |
Product Overview
biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) (CAS 70786-69-5), with molecular formula C23H22N2O4S2 and molecular weight 454.10 g/mol. IUPAC: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;4-phenylbenzenesulfonic acid.
Chemical Property Profile of biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)
Property Insights of biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)
The XLogP value of 4.162 indicates that biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1). Following Lipinski's Rule of Five, biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) has 2 hydrogen bond donor(s) and 6 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 biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)?
The CAS number of biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) is 70786-69-5.
What is the molecular formula of biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)?
The molecular formula of biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) is C23H22N2O4S2.
What is the molecular weight of biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)?
The molecular weight of biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) is 454.10 g/mol.
Where can I buy biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)?
You can request a quote for biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1)?
Yes, KEHONG BIO provides custom synthesis services for biphenyl-4-sulfonic acid- 2-(4,5-dihydro-1h-imidazol-2-ylsulfanyl)-1-phenylethanone(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.