benzyl N-(1-cyano-3-methylbutyl)carbamate
TL;DR: benzyl N-(1-cyano-3-methylbutyl)carbamate (CAS 109522-25-0) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(1-cyano-3-methylbutyl)carbamate
Also Known As: (S)-N-Cbz-Leucinenitrile, benzyl N-(1-cyano-3-methylbutyl)carbamate, benzyl (1-cyano-3-methylbutyl)carbamate, (S)-benzyl 1-cyano-3-methylbutylcarbamate, Benzyl N-(1-cyano-3-methyl-butyl)carbamate
Technical Specifications
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.13683 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.13683 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | CC(C)CC(C#N)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | NUAFACVILYYUDG-UHFFFAOYSA-N |
Chemical Property Profile of benzyl N-(1-cyano-3-methylbutyl)carbamate
Property Insights of benzyl N-(1-cyano-3-methylbutyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-(1-cyano-3-methylbutyl)carbamate. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-(1-cyano-3-methylbutyl)carbamate. Following Lipinski's Rule of Five, benzyl N-(1-cyano-3-methylbutyl)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-cyano-3-methylbutyl)carbamate?
The CAS number of benzyl N-(1-cyano-3-methylbutyl)carbamate is 109522-25-0.
What is the molecular formula of benzyl N-(1-cyano-3-methylbutyl)carbamate?
The molecular formula of benzyl N-(1-cyano-3-methylbutyl)carbamate is C14H18N2O2.
What is the molecular weight of benzyl N-(1-cyano-3-methylbutyl)carbamate?
The molecular weight of benzyl N-(1-cyano-3-methylbutyl)carbamate is 246.13683 g/mol.
Where can I buy benzyl N-(1-cyano-3-methylbutyl)carbamate?
You can request a quote for benzyl N-(1-cyano-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-cyano-3-methylbutyl)carbamate?
Yes, CoreyChem provides custom synthesis services for benzyl N-(1-cyano-3-methylbutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.