4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
TL;DR: 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide (CAS 672338-07-7) is a chemical compound with molecular formula C13H17N5O and molecular weight 259.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
Also Known As: 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide, 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide, BAS 07536210, 4-tert-butyl-N-(2-methyl-2H-tetrazol-5-yl)benzamide, 4-tert-butyl-N-(2-methyl-5-tetrazolyl)benzamide
| Molecular Formula | C13H17N5O |
|---|---|
| Molecular Weight | 259.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.1433 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 672338-07-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN(N=N2)C |
| InChIKey | AYPFQTLKOBNBFQ-UHFFFAOYSA-N |
Product Overview
4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide (CAS 672338-07-7), with molecular formula C13H17N5O and molecular weight 259.14 g/mol. IUPAC: 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide.
Chemical Property Profile of 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
Property Insights of 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
The XLogP value of 3.0 indicates that 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide. Following Lipinski's Rule of Five, 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide 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-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide?
The CAS number of 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide is 672338-07-7.
What is the molecular formula of 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide?
The molecular formula of 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide is C13H17N5O.
What is the molecular weight of 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide?
The molecular weight of 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide is 259.14 g/mol.
Where can I buy 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide?
You can request a quote for 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.