![4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid structure](/static/products/7067/706765-62-0.webp)
4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid
TL;DR: 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid (CAS 706765-62-0) is a chemical compound with molecular formula C11H8N8O4S and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic acid
Also Known As: 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid, 4-(5-((1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio)-1H-tetrazol-1-yl)benzoic acid, 4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid, 4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]-1H-tetrazol-1-yl}benzoic acid, 4-{5-[(1-METHYL-3-NITRO-1H-1,2,4-TRIAZOL-5-YL)SULFANYL]-1H-1,2,3,4-TETRAZOL-1-YL}BENZOIC ACID
| Molecular Formula | C11H8N8O4S |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 0.5484 |
| Topological Polar Surface Area | 154.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.0389 |
| Heavy Atoms | 24 |
| Complexity | 918.50903 |
Chemical Identifiers
| CAS Number | 706765-62-0 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=NN2C3=CC=C(C=C3)C(=O)O |
Product Overview
4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid (CAS 706765-62-0), with molecular formula C11H8N8O4S and molecular weight 348.04 g/mol. IUPAC: 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid
Property Insights of 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid
The XLogP value of 0.5484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid. The TPSA of 154.75 Ų indicates high polarity, suggesting 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid has 1 hydrogen bond donor(s) and 9 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 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid?
The CAS number of 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid is 706765-62-0.
What is the molecular formula of 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid?
The molecular formula of 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid is C11H8N8O4S.
What is the molecular weight of 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid?
The molecular weight of 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid is 348.04 g/mol.
Where can I buy 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid?
You can request a quote for 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazol-1-yl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.