Tert-butyl N-(benzyloxy)carbamate
TL;DR: Tert-butyl N-(benzyloxy)carbamate (CAS 80799-36-6) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-phenylmethoxycarbamate
Also Known As: tert-butyl benzyloxycarbamate, tert-Butyl N-(benzyloxy)carbamate, tert-butyl N-phenylmethoxycarbamate, tert-butyl(benzyloxy)carbamate, N-Boc-O-benzylhydroxylamine
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 80799-36-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NOCC1=CC=CC=C1 |
| InChIKey | MZNBNPWFHGWAGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl N-(benzyloxy)carbamate (CAS 80799-36-6), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: tert-butyl N-phenylmethoxycarbamate.
Chemical Property Profile of Tert-butyl N-(benzyloxy)carbamate
Property Insights of Tert-butyl N-(benzyloxy)carbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl N-(benzyloxy)carbamate. With a topological polar surface area (TPSA) of 47.6 Ų, Tert-butyl N-(benzyloxy)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl N-(benzyloxy)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
Frequently Asked Questions
What is the CAS number of Tert-butyl N-(benzyloxy)carbamate?
The CAS number of Tert-butyl N-(benzyloxy)carbamate is 80799-36-6.
What is the molecular formula of Tert-butyl N-(benzyloxy)carbamate?
The molecular formula of Tert-butyl N-(benzyloxy)carbamate is C12H17NO3.
What is the molecular weight of Tert-butyl N-(benzyloxy)carbamate?
The molecular weight of Tert-butyl N-(benzyloxy)carbamate is 223.12 g/mol.
Where can I buy Tert-butyl N-(benzyloxy)carbamate?
You can request a quote for Tert-butyl N-(benzyloxy)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl N-(benzyloxy)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl N-(benzyloxy)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.