5-Chloro-2-(1H-tetrazol-5-yl)aniline
TL;DR: 5-Chloro-2-(1H-tetrazol-5-yl)aniline (CAS 54013-18-2) is a chemical compound with molecular formula C7H6ClN5 and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2H-tetrazol-5-yl)aniline
Also Known As: 5-Chloro-2-(1H-tetrazol-5-yl)aniline, 5-chloro-2-(2H-tetrazol-5-yl)aniline, 5-CHLORO-2- ANILINE, 5-chloro-2-(1H-1,2,3,4-tetrazol-5-yl)aniline, 5-(2-Amino-4-chlorophenyl)tetrazole
| Molecular Formula | C7H6ClN5 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.03117 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 54013-18-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)C2=NNN=N2 |
| InChIKey | KKTZHFZXGZLTLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-(1H-tetrazol-5-yl)aniline (CAS 54013-18-2), with molecular formula C7H6ClN5 and molecular weight 195.03 g/mol. IUPAC: 5-chloro-2-(2H-tetrazol-5-yl)aniline.
Chemical Property Profile of 5-Chloro-2-(1H-tetrazol-5-yl)aniline
Property Insights of 5-Chloro-2-(1H-tetrazol-5-yl)aniline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-(1H-tetrazol-5-yl)aniline. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-(1H-tetrazol-5-yl)aniline. Following Lipinski's Rule of Five, 5-Chloro-2-(1H-tetrazol-5-yl)aniline has 2 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 5-Chloro-2-(1H-tetrazol-5-yl)aniline?
The CAS number of 5-Chloro-2-(1H-tetrazol-5-yl)aniline is 54013-18-2.
What is the molecular formula of 5-Chloro-2-(1H-tetrazol-5-yl)aniline?
The molecular formula of 5-Chloro-2-(1H-tetrazol-5-yl)aniline is C7H6ClN5.
What is the molecular weight of 5-Chloro-2-(1H-tetrazol-5-yl)aniline?
The molecular weight of 5-Chloro-2-(1H-tetrazol-5-yl)aniline is 195.03 g/mol.
Where can I buy 5-Chloro-2-(1H-tetrazol-5-yl)aniline?
You can request a quote for 5-Chloro-2-(1H-tetrazol-5-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(1H-tetrazol-5-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(1H-tetrazol-5-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.