4-(2H-1,2,3,4-tetrazol-2-yl)aniline
TL;DR: 4-(2H-1,2,3,4-tetrazol-2-yl)aniline (CAS 52708-35-7) is a chemical compound with molecular formula C7H7N5 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(tetrazol-2-yl)aniline
Also Known As: 4-(tetrazol-2-yl)aniline, 4- benzenamine, 4-(2H-tetrazol-2-yl)aniline, 4-(2H-tetrazol-2-yl)benzenamine, Benzenamine, 4-(2H-tetrazol-2-yl)-
| Molecular Formula | C7H7N5 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.07014 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 52708-35-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N2N=CN=N2 |
| InChIKey | HELCKJWIYMGRIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2H-1,2,3,4-tetrazol-2-yl)aniline (CAS 52708-35-7), with molecular formula C7H7N5 and molecular weight 161.07 g/mol. IUPAC: 4-(tetrazol-2-yl)aniline.
Chemical Property Profile of 4-(2H-1,2,3,4-tetrazol-2-yl)aniline
Property Insights of 4-(2H-1,2,3,4-tetrazol-2-yl)aniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2H-1,2,3,4-tetrazol-2-yl)aniline. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2H-1,2,3,4-tetrazol-2-yl)aniline. Following Lipinski's Rule of Five, 4-(2H-1,2,3,4-tetrazol-2-yl)aniline has 1 hydrogen bond donor(s) and 4 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-(2H-1,2,3,4-tetrazol-2-yl)aniline?
The CAS number of 4-(2H-1,2,3,4-tetrazol-2-yl)aniline is 52708-35-7.
What is the molecular formula of 4-(2H-1,2,3,4-tetrazol-2-yl)aniline?
The molecular formula of 4-(2H-1,2,3,4-tetrazol-2-yl)aniline is C7H7N5.
What is the molecular weight of 4-(2H-1,2,3,4-tetrazol-2-yl)aniline?
The molecular weight of 4-(2H-1,2,3,4-tetrazol-2-yl)aniline is 161.07 g/mol.
Where can I buy 4-(2H-1,2,3,4-tetrazol-2-yl)aniline?
You can request a quote for 4-(2H-1,2,3,4-tetrazol-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2H-1,2,3,4-tetrazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2H-1,2,3,4-tetrazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.