Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester
TL;DR: Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester (CAS 133506-50-0) is a chemical compound with molecular formula C18H16N4O4S and molecular weight 384.08923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-phenyltetrazol-5-yl)sulfanylethyl 2-acetyloxybenzoate
Also Known As: 2-((1-Phenyl-1H-tetrazol-5-yl)thio)ethyl 2-(acetyloxy)benzoate, Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester, 2-(1-phenyltetrazol-5-yl)sulfanylethyl 2-acetyloxybenzoate, 2-[(1-Phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl 2-(acetyloxy)benzoate, 2-(ACETYLOXY)BENZOIC ACID 2-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)ETHYL ESTER
Technical Specifications
| Molecular Formula | C18H16N4O4S |
| Molecular Weight | 384.08923 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.08923 Da |
| Heavy Atoms | 27 |
| Complexity | 504.0 |
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OCCSC2=NN=NN2C3=CC=CC=C3 |
| InChIKey | DKNYQBARFMFUHA-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester
Property Insights of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester?
The CAS number of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester is 133506-50-0.
What is the molecular formula of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester?
The molecular formula of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester is C18H16N4O4S.
What is the molecular weight of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester?
The molecular weight of Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester is 384.08923 g/mol.
Where can I buy Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester?
You can request a quote for Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(acetyloxy)-, 2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.