benzyl N-(2-carbamoylethyl)carbamate
TL;DR: benzyl N-(2-carbamoylethyl)carbamate (CAS 886-64-6) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-amino-3-oxopropyl)carbamate
Also Known As: Z-beta-alanine amide, benzyl N-(2-carbamoylethyl)carbamate, Z-BETA-ALA-NH2, Z-b-alanine amide, A-Ala-NH2
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 886-64-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCC(=O)N |
| InChIKey | JSVDOBZAAAJMBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
benzyl N-(2-carbamoylethyl)carbamate (CAS 886-64-6), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: benzyl N-(3-amino-3-oxopropyl)carbamate.
Chemical Property Profile of benzyl N-(2-carbamoylethyl)carbamate
Property Insights of benzyl N-(2-carbamoylethyl)carbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-(2-carbamoylethyl)carbamate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-(2-carbamoylethyl)carbamate. Following Lipinski's Rule of Five, benzyl N-(2-carbamoylethyl)carbamate has 2 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 benzyl N-(2-carbamoylethyl)carbamate?
The CAS number of benzyl N-(2-carbamoylethyl)carbamate is 886-64-6.
What is the molecular formula of benzyl N-(2-carbamoylethyl)carbamate?
The molecular formula of benzyl N-(2-carbamoylethyl)carbamate is C11H14N2O3.
What is the molecular weight of benzyl N-(2-carbamoylethyl)carbamate?
The molecular weight of benzyl N-(2-carbamoylethyl)carbamate is 222.10 g/mol.
Where can I buy benzyl N-(2-carbamoylethyl)carbamate?
You can request a quote for benzyl N-(2-carbamoylethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-(2-carbamoylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(2-carbamoylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.