1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid
TL;DR: 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid (CAS 3438-63-9) is a chemical compound with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-benzylsulfanylimidazole-4,5-dicarboxylic acid
Also Known As: 1-benzyl-2-benzylsulfanylimidazole-4,5-dicarboxylic acid, 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid, 1-benzyl-2-benzylsulfanyl-1H-imidazole-4,5-dicarboxylic acid, 1H-Imidazole-4,5-dicarboxylicacid, 1-(phenylmethyl)-2-[(phenylmethyl)thio]-
| Molecular Formula | C19H16N2O4S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.08307 |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 3438-63-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=C2SCC3=CC=CC=C3)C(=O)O)C(=O)O |
| InChIKey | JIFLVCOHZUMPBE-UHFFFAOYSA-N |
Product Overview
1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid (CAS 3438-63-9), with molecular formula C19H16N2O4S and molecular weight 368.08 g/mol. IUPAC: 1-benzyl-2-benzylsulfanylimidazole-4,5-dicarboxylic acid.
Chemical Property Profile of 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid
Property Insights of 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid
The XLogP value of 3.7 indicates that 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid. Following Lipinski's Rule of Five, 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid 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 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid?
The CAS number of 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid is 3438-63-9.
What is the molecular formula of 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid?
The molecular formula of 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid is C19H16N2O4S.
What is the molecular weight of 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid?
The molecular weight of 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid is 368.08 g/mol.
Where can I buy 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid?
You can request a quote for 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-2-(benzylsulfanyl)-1H-imidazole-4,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.