![Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate structure](/static/products/1254/125453-14-7.webp)
Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate
TL;DR: Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate (CAS 125453-14-7) is a chemical compound with molecular formula C19H22N4O2 and molecular weight 338.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[1-(benzotriazol-1-yl)-3-methylbutyl]carbamate
Also Known As: Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate, J3.380.508J, Benzyl N-(1-benzotriazol-1-yl-3-methyl-butyl)carbamate, benzyl N-[1-(benzotriazol-1-yl)-3-methylbutyl]carbamate, [1-(1H-Benzotriazole-1-yl)-3-methylbutyl]carbamic acid benzyl ester
Technical Specifications
| Molecular Formula | C19H22N4O2 |
| Molecular Weight | 338.1743 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.1743 Da |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
| SMILES | CC(C)CC(NC(=O)OCC1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
| InChIKey | KISGVGRWCFIBHD-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate
Property Insights of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate
The XLogP value of 4.1 indicates that Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate. Following Lipinski's Rule of Five, Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate 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
What is the CAS number of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate?
The CAS number of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate is 125453-14-7.
What is the molecular formula of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate?
The molecular formula of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate is C19H22N4O2.
What is the molecular weight of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate?
The molecular weight of Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate is 338.1743 g/mol.
Where can I buy Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate?
You can request a quote for Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl N-[1-(1H-1,2,3-benzotriazol-1-yl)-3-methylbutyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.