3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate
TL;DR: 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate (CAS 332176-77-9) is a chemical compound with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(tetrazol-1-yl)phenyl] 4-methylbenzoate
Also Known As: BAS 01280122, [3-(tetrazol-1-yl)phenyl] 4-methylbenzoate, 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate, 3-(1,2,3,4-tetraazolyl)phenyl 4-methylbenzoate, 4-Methyl-benzoic acid 3-tetrazol-1-yl-phenyl ester
| Molecular Formula | C15H12N4O2 |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 2.18992 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.09604 |
| Heavy Atoms | 21 |
| Complexity | 751.6095 |
Chemical Identifiers
| CAS Number | 332176-77-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C=NN=N3 |
Product Overview
3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate (CAS 332176-77-9), with molecular formula C15H12N4O2 and molecular weight 280.10 g/mol. IUPAC: [3-(tetrazol-1-yl)phenyl] 4-methylbenzoate.
Chemical Property Profile of 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate
Property Insights of 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate
The XLogP value of 2.18992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate. Following Lipinski's Rule of Five, 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 5 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-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate?
The CAS number of 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate is 332176-77-9.
What is the molecular formula of 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate?
The molecular formula of 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate is C15H12N4O2.
What is the molecular weight of 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate?
The molecular weight of 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate is 280.10 g/mol.
Where can I buy 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate?
You can request a quote for 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.