Benzyl 1-methyl-2-oxoethylcarbamate
TL;DR: Benzyl 1-methyl-2-oxoethylcarbamate (CAS 111955-03-4) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(1-oxopropan-2-yl)carbamate
Also Known As: Benzyl 1-methyl-2-oxoethylcarbamate, benzyl N-(1-oxopropan-2-yl)carbamate, benzyl (1-oxopropan-2-yl)carbamate, N-Benzyloxycarbonyl-D-alaninal, (1-Methyl-2-oxo-ethyl)-carbamic acid benzyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.08954 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 Da |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
| SMILES | CC(C=O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | XTXJPZGMVKIPHE-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 1-methyl-2-oxoethylcarbamate
Property Insights of Benzyl 1-methyl-2-oxoethylcarbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 1-methyl-2-oxoethylcarbamate. With a topological polar surface area (TPSA) of 55.4 Ų, Benzyl 1-methyl-2-oxoethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 1-methyl-2-oxoethylcarbamate 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
What is the CAS number of Benzyl 1-methyl-2-oxoethylcarbamate?
The CAS number of Benzyl 1-methyl-2-oxoethylcarbamate is 111955-03-4.
What is the molecular formula of Benzyl 1-methyl-2-oxoethylcarbamate?
The molecular formula of Benzyl 1-methyl-2-oxoethylcarbamate is C11H13NO3.
What is the molecular weight of Benzyl 1-methyl-2-oxoethylcarbamate?
The molecular weight of Benzyl 1-methyl-2-oxoethylcarbamate is 207.08954 g/mol.
Where can I buy Benzyl 1-methyl-2-oxoethylcarbamate?
You can request a quote for Benzyl 1-methyl-2-oxoethylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 1-methyl-2-oxoethylcarbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl 1-methyl-2-oxoethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.