1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
TL;DR: 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide (CAS 722468-52-2) is a chemical compound with molecular formula C14H12N4O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-phenylbenzotriazole-5-carboxamide
Also Known As: 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide, 1-methyl-N-phenylbenzotriazole-5-carboxamide, AH-487/42306384, 1-methyl-N-phenyl-1H-1,2,3-benzotriazole-5-carboxamide, 1H-Benzotriazole-5-carboxamide, 1-methyl-N-phenyl- (9CI)
| Molecular Formula | C14H12N4O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.2206 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.1011 |
| Heavy Atoms | 19 |
| Complexity | 733.5456 |
Chemical Identifiers
| CAS Number | 722468-52-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3)N=N1 |
Product Overview
1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide (CAS 722468-52-2), with molecular formula C14H12N4O and molecular weight 252.10 g/mol. IUPAC: 1-methyl-N-phenylbenzotriazole-5-carboxamide.
Chemical Property Profile of 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
Property Insights of 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
The XLogP value of 2.2206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide. With a topological polar surface area (TPSA) of 59.81 Ų, 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-N-phenyl-1H-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 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide?
The CAS number of 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide is 722468-52-2.
What is the molecular formula of 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide?
The molecular formula of 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide is C14H12N4O.
What is the molecular weight of 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide?
The molecular weight of 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide is 252.10 g/mol.
Where can I buy 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide?
You can request a quote for 1-methyl-N-phenyl-1H-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 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.