5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid
TL;DR: 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid (CAS 81595-06-4) is a chemical compound with molecular formula C9H7N5O4 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-nitrophenyl)tetrazol-2-yl]acetic acid
Also Known As: 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid, BAS 04248029, 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetic acid, 5-(4-nitrophenyl)-2H-tetrazolylacetic acid, [5-(4-Nitro-phenyl)-tetrazol-2-yl]-acetic acid
| Molecular Formula | C9H7N5O4 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 0.3329 |
| Topological Polar Surface Area | 124.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0498 |
| Heavy Atoms | 18 |
| Complexity | 591.2604 |
Chemical Identifiers
| CAS Number | 81595-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(N=N2)CC(=O)O)[N+](=O)[O-] |
Product Overview
5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid (CAS 81595-06-4), with molecular formula C9H7N5O4 and molecular weight 249.05 g/mol. IUPAC: 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetic acid.
Chemical Property Profile of 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid
Property Insights of 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid
The XLogP value of 0.3329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid. The TPSA of 124.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid. Following Lipinski's Rule of Five, 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid has 1 hydrogen bond donor(s) and 6 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-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid?
The CAS number of 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid is 81595-06-4.
What is the molecular formula of 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid?
The molecular formula of 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid is C9H7N5O4.
What is the molecular weight of 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid?
The molecular weight of 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid is 249.05 g/mol.
Where can I buy 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid?
You can request a quote for 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Nitrophenyl)-2H-tetrazole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.