N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
TL;DR: N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide (CAS 722468-05-5) is a chemical compound with molecular formula C12H16N4O and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-methylbenzotriazole-5-carboxamide
Also Known As: N-tert-butyl-1-methylbenzotriazole-5-carboxamide, BAS 07205949, N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide, 1-Methyl-1H-benzotriazole-5-carboxylic acid tert-butylamide, N-tert-butyl-1-methyl-5-benzotriazolecarboxamide
| Molecular Formula | C12H16N4O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.13242 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 722468-05-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC2=C(C=C1)N(N=N2)C |
| InChIKey | DQPVHHGDWRCRCB-UHFFFAOYSA-N |
Product Overview
N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide (CAS 722468-05-5), with molecular formula C12H16N4O and molecular weight 232.13 g/mol. IUPAC: N-tert-butyl-1-methylbenzotriazole-5-carboxamide.
Chemical Property Profile of N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
Property Insights of N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide. With a topological polar surface area (TPSA) of 59.8 Ų, N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide has 1 hydrogen bond donor(s) and 3 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 N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide?
The CAS number of N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide is 722468-05-5.
What is the molecular formula of N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide?
The molecular formula of N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide is C12H16N4O.
What is the molecular weight of N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide?
The molecular weight of N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide is 232.13 g/mol.
Where can I buy N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide?
You can request a quote for N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-1-methyl-1H-1,2,3-benzotriazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.