Propan-2-yl benzylcarbamate
TL;DR: Propan-2-yl benzylcarbamate (CAS 58845-80-0) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-benzylcarbamate
Also Known As: propan-2-yl benzylcarbamate, isopropyl benzylcarbamate, propan-2-yl N-benzylcarbamate, Lacosamide Impurity 19, isopropyl N-benzylcarbamate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 58845-80-0 |
|---|---|
| SMILES | CC(C)OC(=O)NCC1=CC=CC=C1 |
| InChIKey | GEJIHIZACACFAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-yl benzylcarbamate (CAS 58845-80-0), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: propan-2-yl N-benzylcarbamate.
Chemical Property Profile of Propan-2-yl benzylcarbamate
Property Insights of Propan-2-yl benzylcarbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl benzylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Propan-2-yl benzylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 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 Propan-2-yl benzylcarbamate?
The CAS number of Propan-2-yl benzylcarbamate is 58845-80-0.
What is the molecular formula of Propan-2-yl benzylcarbamate?
The molecular formula of Propan-2-yl benzylcarbamate is C11H15NO2.
What is the molecular weight of Propan-2-yl benzylcarbamate?
The molecular weight of Propan-2-yl benzylcarbamate is 193.11 g/mol.
Where can I buy Propan-2-yl benzylcarbamate?
You can request a quote for Propan-2-yl benzylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl benzylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl benzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.