2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide
TL;DR: 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide (CAS 518352-83-5) 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.
2-(benzotriazol-1-yl)-N-butylacetamide
Also Known As: 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide, 2-(benzotriazol-1-yl)-N-butylacetamide, 2-benzotriazol-1-yl-N-butyl-acetamide, 2-(benzotriazol-1-yl)-N-butyl-acetamide
| Molecular Formula | C12H16N4O |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.3476 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.13242 |
| Heavy Atoms | 17 |
| Complexity | 505.92987 |
Chemical Identifiers
| CAS Number | 518352-83-5 |
|---|---|
| SMILES | CCCCNC(=O)CN1C2=CC=CC=C2N=N1 |
Product Overview
2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide (CAS 518352-83-5), with molecular formula C12H16N4O and molecular weight 232.13 g/mol. IUPAC: 2-(benzotriazol-1-yl)-N-butylacetamide.
Chemical Property Profile of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide
Property Insights of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide
The XLogP value of 1.3476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide. With a topological polar surface area (TPSA) of 59.81 Ų, 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide 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 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide?
The CAS number of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide is 518352-83-5.
What is the molecular formula of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide?
The molecular formula of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide is C12H16N4O.
What is the molecular weight of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide?
The molecular weight of 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide is 232.13 g/mol.
Where can I buy 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide?
You can request a quote for 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-Benzotriazol-1-yl)-N-butylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.