5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole
TL;DR: 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole (CAS 291535-02-9) is a chemical compound with molecular formula C13H8ClN5O3 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenoxy)-1-(4-nitrophenyl)tetrazole
Also Known As: 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole, 5-(4-chlorophenoxy)-1-(4-nitrophenyl)tetrazole, AL-291/13466010
| Molecular Formula | C13H8ClN5O3 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 3.0162 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.03156 |
| Heavy Atoms | 22 |
| Complexity | 801.3027 |
Chemical Identifiers
| CAS Number | 291535-02-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=N2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole (CAS 291535-02-9), with molecular formula C13H8ClN5O3 and molecular weight 317.03 g/mol. IUPAC: 5-(4-chlorophenoxy)-1-(4-nitrophenyl)tetrazole.
Chemical Property Profile of 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole
Property Insights of 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole
The XLogP value of 3.0162 indicates that 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole. Following Lipinski's Rule of Five, 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole has 0 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-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole?
The CAS number of 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole is 291535-02-9.
What is the molecular formula of 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole?
The molecular formula of 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole is C13H8ClN5O3.
What is the molecular weight of 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole?
The molecular weight of 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole is 317.03 g/mol.
Where can I buy 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole?
You can request a quote for 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenoxy)-1-{4-nitrophenyl}-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.