tert-Butyl styrylcarbamate
TL;DR: tert-Butyl styrylcarbamate (CAS 648928-83-0) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-phenylethenyl)carbamate
Also Known As: tert-Butyl styrylcarbamate, tert-butyl N-(2-phenylethenyl)carbamate, Carbamic acid, [(1E)-2-phenylethenyl]-, 1,1-dimethylethyl ester, Carbamic acid,(2-phenylethenyl)-, 1,1-dimethylethyl ester (9CI)
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 648928-83-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC=CC1=CC=CC=C1 |
| InChIKey | POEOBHBXPYDDER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl styrylcarbamate (CAS 648928-83-0), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: tert-butyl N-(2-phenylethenyl)carbamate.
Chemical Property Profile of tert-Butyl styrylcarbamate
Property Insights of tert-Butyl styrylcarbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl styrylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, tert-Butyl styrylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl styrylcarbamate 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 styrylcarbamate?
The CAS number of tert-Butyl styrylcarbamate is 648928-83-0.
What is the molecular formula of tert-Butyl styrylcarbamate?
The molecular formula of tert-Butyl styrylcarbamate is C13H17NO2.
What is the molecular weight of tert-Butyl styrylcarbamate?
The molecular weight of tert-Butyl styrylcarbamate is 219.13 g/mol.
Where can I buy tert-Butyl styrylcarbamate?
You can request a quote for tert-Butyl styrylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl styrylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl styrylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.