![5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid structure](/static/products/3097/309726-59-8.webp)
5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid
TL;DR: 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid (CAS 309726-59-8) is a chemical compound with molecular formula C14H9N5O4S and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid
Also Known As: 5-Nitro-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-benzoic acid, 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid, 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid, 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzoic Acid, 5-nitro-2-((1-phenyl-1H-tetrazol-5-yl)thio)benzoic acid
| Molecular Formula | C14H9N5O4S |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.03754 |
| Heavy Atoms | 24 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 309726-59-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O |
| InChIKey | ZEKBXTUQEKTDEV-UHFFFAOYSA-N |
Product Overview
5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid (CAS 309726-59-8), with molecular formula C14H9N5O4S and molecular weight 343.04 g/mol. IUPAC: 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid.
Chemical Property Profile of 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid
Property Insights of 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid
The XLogP value of 3.0 indicates that 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid has 1 hydrogen bond donor(s) and 8 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 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid?
The CAS number of 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid is 309726-59-8.
What is the molecular formula of 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid?
The molecular formula of 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid is C14H9N5O4S.
What is the molecular weight of 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid?
The molecular weight of 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid is 343.04 g/mol.
Where can I buy 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid?
You can request a quote for 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.