2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate
TL;DR: 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate (CAS 133506-49-7) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-phenyltetrazol-5-yl)sulfanylethyl 4-phenylbenzoate
Also Known As: 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate, (1,1'-Biphenyl)-4-carboxylic acid, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester, 2-(1-phenyltetrazol-5-yl)sulfanylethyl 4-phenylbenzoate, 2-[(1-Phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl [1,1'-biphenyl]-4-carboxylate
Technical Specifications
| Molecular Formula | C22H18N4O2S |
| Molecular Weight | 402.11505 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.11505 Da |
| Heavy Atoms | 29 |
| Complexity | 503.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCSC3=NN=NN3C4=CC=CC=C4 |
| InChIKey | JHJOAMRKEOTZER-UHFFFAOYSA-N |
Chemical Property Profile of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate
Property Insights of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate
The XLogP value of 5.2 indicates that 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate. Following Lipinski's Rule of Five, 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate?
The CAS number of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate is 133506-49-7.
What is the molecular formula of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate?
The molecular formula of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate is C22H18N4O2S.
What is the molecular weight of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate?
The molecular weight of 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate is 402.11505 g/mol.
Where can I buy 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate?
You can request a quote for 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl (1,1'-biphenyl)-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.