Benzyl N-butylcarbamate
TL;DR: Benzyl N-butylcarbamate (CAS 13105-53-8) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-butylcarbamate
Also Known As: benzyl butylcarbamate, Benzyl N-butylcarbamate, cbz-butylamine, benzylbutylcarbamate, Carbamic acid, butyl-, phenylmethyl ester
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
| SMILES | CCCCNC(=O)OCC1=CC=CC=C1 |
| InChIKey | VQJDBGSINGXXEB-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl N-butylcarbamate
Property Insights of Benzyl N-butylcarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-butylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Benzyl N-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl N-butylcarbamate has 1 hydrogen bond donor(s) and 2 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-butylcarbamate?
The CAS number of Benzyl N-butylcarbamate is 13105-53-8.
What is the molecular formula of Benzyl N-butylcarbamate?
The molecular formula of Benzyl N-butylcarbamate is C12H17NO2.
What is the molecular weight of Benzyl N-butylcarbamate?
The molecular weight of Benzyl N-butylcarbamate is 207.12593 g/mol.
Where can I buy Benzyl N-butylcarbamate?
You can request a quote for Benzyl N-butylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl N-butylcarbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.