![benzyl N-[cyano(phenyl)methyl]carbamate structure](/static/products/1275/127536-31-6.webp)
benzyl N-[cyano(phenyl)methyl]carbamate
TL;DR: benzyl N-[cyano(phenyl)methyl]carbamate (CAS 127536-31-6) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[cyano(phenyl)methyl]carbamate
Also Known As: benzyl N-[cyano(phenyl)methyl]carbamate, benzyl [cyano(phenyl)methyl]carbamate, Benzyl (cyano(phenyl)methyl)carbamate, Benzyl N-(cyano-phenyl-methyl)carbamate, J2.816.639G
Technical Specifications
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.10553 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.10553 Da |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C#N)C2=CC=CC=C2 |
| InChIKey | NRGHTWNHDZVHAT-UHFFFAOYSA-N |
Chemical Property Profile of benzyl N-[cyano(phenyl)methyl]carbamate
Property Insights of benzyl N-[cyano(phenyl)methyl]carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-[cyano(phenyl)methyl]carbamate. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-[cyano(phenyl)methyl]carbamate. Following Lipinski's Rule of Five, benzyl N-[cyano(phenyl)methyl]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-[cyano(phenyl)methyl]carbamate?
The CAS number of benzyl N-[cyano(phenyl)methyl]carbamate is 127536-31-6.
What is the molecular formula of benzyl N-[cyano(phenyl)methyl]carbamate?
The molecular formula of benzyl N-[cyano(phenyl)methyl]carbamate is C16H14N2O2.
What is the molecular weight of benzyl N-[cyano(phenyl)methyl]carbamate?
The molecular weight of benzyl N-[cyano(phenyl)methyl]carbamate is 266.10553 g/mol.
Where can I buy benzyl N-[cyano(phenyl)methyl]carbamate?
You can request a quote for benzyl N-[cyano(phenyl)methyl]carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for benzyl N-[cyano(phenyl)methyl]carbamate?
Yes, CoreyChem provides custom synthesis services for benzyl N-[cyano(phenyl)methyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.