![3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid structure](/static/products/321/321967-14-0.png)
3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid
TL;DR: 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid (CAS 321967-14-0) is a chemical compound with molecular formula C13H10N4O7S and molecular weight 366.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5-[2-(3-sulfophenyl)iminohydrazinyl]benzoic acid
Also Known As: 3-nitro-5-[2-(3-sulfophenyl)iminohydrazinyl]benzoic Acid, 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid, 3-nitro-5-[3-(3-sulfophenyl)-2-triazen-1-yl]benzoic acid, 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-enyl]benzoic acid, (E)-3-nitro-5-(3-(3-sulfophenyl)triaz-2-en-1-yl)benzoic acid
| Molecular Formula | C13H10N4O7S |
|---|---|
| Molecular Weight | 366.03 g/mol |
| LogP | 2.6505 |
| Topological Polar Surface Area | 171.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.027 |
| Heavy Atoms | 25 |
| Complexity | 939.84283 |
Chemical Identifiers
| CAS Number | 321967-14-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)N=NNC2=CC(=CC(=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid (CAS 321967-14-0), with molecular formula C13H10N4O7S and molecular weight 366.03 g/mol. IUPAC: 3-nitro-5-[2-(3-sulfophenyl)iminohydrazinyl]benzoic acid.
Chemical Property Profile of 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid
Property Insights of 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid
The XLogP value of 2.6505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid. The TPSA of 171.56 Ų indicates high polarity, suggesting 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid has 3 hydrogen bond donor(s) and 7 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 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid?
The CAS number of 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid is 321967-14-0.
What is the molecular formula of 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid?
The molecular formula of 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid is C13H10N4O7S.
What is the molecular weight of 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid?
The molecular weight of 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid is 366.03 g/mol.
Where can I buy 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid?
You can request a quote for 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-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 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-5-[(2E)-3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.