Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester
TL;DR: Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester (CAS 33036-40-7) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1-phenylethyl)carbamate
Also Known As: tert-butyl N-(1-phenylethyl)carbamate, tert-Butyl 1-phenylethylcarbamate, tert-butyl (1-phenylethyl)carbamate, N-Boc-a-methylbenzenemethanamine, tert-Butyl 1-phenylethylcarbamate #
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 33036-40-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)OC(C)(C)C |
| InChIKey | WOIRCKJMSPMDAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester (CAS 33036-40-7), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: tert-butyl N-(1-phenylethyl)carbamate.
Chemical Property Profile of Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester
Property Insights of Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester 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 Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester?
The CAS number of Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester is 33036-40-7.
What is the molecular formula of Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester?
The molecular formula of Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester is C13H19NO2.
What is the molecular weight of Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester?
The molecular weight of Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester is 221.14 g/mol.
Where can I buy Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester?
You can request a quote for Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.