N-(1H-Benzotriazol-1-ylmethyl)benzamide
TL;DR: N-(1H-Benzotriazol-1-ylmethyl)benzamide (CAS 111184-75-9) 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.
N-(benzotriazol-1-ylmethyl)benzamide
Also Known As: N-(1H-Benzotriazol-1-ylmethyl)benzamide, N-(benzotriazol-1-ylmethyl)benzamide, N-benzotriazol-1-ylmethyl-benzamide, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)benzamide, N-[(1H-1,2,3-benzotriazol-1-yl)methyl]benzamide
| Molecular Formula | C14H12N4O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.1011 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 111184-75-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCN2C3=CC=CC=C3N=N2 |
| InChIKey | CDZWFIDNOCWJDS-UHFFFAOYSA-N |
Product Overview
N-(1H-Benzotriazol-1-ylmethyl)benzamide (CAS 111184-75-9), with molecular formula C14H12N4O and molecular weight 252.10 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)benzamide.
Chemical Property Profile of N-(1H-Benzotriazol-1-ylmethyl)benzamide
Property Insights of N-(1H-Benzotriazol-1-ylmethyl)benzamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-Benzotriazol-1-ylmethyl)benzamide. With a topological polar surface area (TPSA) of 59.8 Ų, N-(1H-Benzotriazol-1-ylmethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-Benzotriazol-1-ylmethyl)benzamide 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-(1H-Benzotriazol-1-ylmethyl)benzamide?
The CAS number of N-(1H-Benzotriazol-1-ylmethyl)benzamide is 111184-75-9.
What is the molecular formula of N-(1H-Benzotriazol-1-ylmethyl)benzamide?
The molecular formula of N-(1H-Benzotriazol-1-ylmethyl)benzamide is C14H12N4O.
What is the molecular weight of N-(1H-Benzotriazol-1-ylmethyl)benzamide?
The molecular weight of N-(1H-Benzotriazol-1-ylmethyl)benzamide is 252.10 g/mol.
Where can I buy N-(1H-Benzotriazol-1-ylmethyl)benzamide?
You can request a quote for N-(1H-Benzotriazol-1-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-Benzotriazol-1-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-Benzotriazol-1-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.