tert-Butyl Benzylcarbamate
TL;DR: tert-Butyl Benzylcarbamate (CAS 42116-55-2) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-benzylcarbamate
Also Known As: tert-butyl benzylcarbamate, N-Boc benzylamine, tert-butyl N-benzylcarbamate, boc-benzylamine, N-boc-benzylamine
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.7113 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 314.14404 |
Chemical Identifiers
| CAS Number | 42116-55-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=CC=CC=C1 |
Product Overview
tert-Butyl Benzylcarbamate (CAS 42116-55-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: tert-butyl N-benzylcarbamate.
Chemical Property Profile of tert-Butyl Benzylcarbamate
Property Insights of tert-Butyl Benzylcarbamate
The XLogP value of 2.7113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl Benzylcarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, tert-Butyl Benzylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl Benzylcarbamate 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
Frequently Asked Questions
What is the CAS number of tert-Butyl Benzylcarbamate?
The CAS number of tert-Butyl Benzylcarbamate is 42116-55-2.
What is the molecular formula of tert-Butyl Benzylcarbamate?
The molecular formula of tert-Butyl Benzylcarbamate is C12H17NO2.
What is the molecular weight of tert-Butyl Benzylcarbamate?
The molecular weight of tert-Butyl Benzylcarbamate is 207.13 g/mol.
Where can I buy tert-Butyl Benzylcarbamate?
You can request a quote for tert-Butyl Benzylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl Benzylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl Benzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.