Benzyl N-(1-cyanobutyl)carbamate
TL;DR: Benzyl N-(1-cyanobutyl)carbamate (CAS 130457-34-0) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(1-cyanobutyl)carbamate
Also Known As: Benzyl N-(1-cyanobutyl)carbamate
Technical Specifications
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.12119 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.12119 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | CCCC(C#N)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | PDNOWXMNNWXTGT-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl N-(1-cyanobutyl)carbamate
Property Insights of Benzyl N-(1-cyanobutyl)carbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-(1-cyanobutyl)carbamate. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-(1-cyanobutyl)carbamate. Following Lipinski's Rule of Five, Benzyl N-(1-cyanobutyl)carbamate 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
What is the CAS number of Benzyl N-(1-cyanobutyl)carbamate?
The CAS number of Benzyl N-(1-cyanobutyl)carbamate is 130457-34-0.
What is the molecular formula of Benzyl N-(1-cyanobutyl)carbamate?
The molecular formula of Benzyl N-(1-cyanobutyl)carbamate is C13H16N2O2.
What is the molecular weight of Benzyl N-(1-cyanobutyl)carbamate?
The molecular weight of Benzyl N-(1-cyanobutyl)carbamate is 232.12119 g/mol.
Where can I buy Benzyl N-(1-cyanobutyl)carbamate?
You can request a quote for Benzyl N-(1-cyanobutyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl N-(1-cyanobutyl)carbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl N-(1-cyanobutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.