Carbamic acid, diethyl-, methyl ester
TL;DR: Carbamic acid, diethyl-, methyl ester (CAS 4652-44-2) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N-diethylcarbamate
Also Known As: Methyl diethylcarbamate, methyl N,N-diethylcarbamate, Diethylcarbamic acid methyl, Methyl diethylcarbamate #, Carbamic acid, diethyl-, methyl ester
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 4652-44-2 |
|---|---|
| SMILES | CCN(CC)C(=O)OC |
| InChIKey | VAGMFMWZIMXAGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, diethyl-, methyl ester (CAS 4652-44-2), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: methyl N,N-diethylcarbamate.
Chemical Property Profile of Carbamic acid, diethyl-, methyl ester
Property Insights of Carbamic acid, diethyl-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, diethyl-, methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, Carbamic acid, diethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, diethyl-, methyl ester has 0 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, diethyl-, methyl ester?
The CAS number of Carbamic acid, diethyl-, methyl ester is 4652-44-2.
What is the molecular formula of Carbamic acid, diethyl-, methyl ester?
The molecular formula of Carbamic acid, diethyl-, methyl ester is C6H13NO2.
What is the molecular weight of Carbamic acid, diethyl-, methyl ester?
The molecular weight of Carbamic acid, diethyl-, methyl ester is 131.09 g/mol.
Where can I buy Carbamic acid, diethyl-, methyl ester?
You can request a quote for Carbamic acid, diethyl-, methyl 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, diethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, diethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.