Diethyl toluene-2,4-dicarbamate
TL;DR: Diethyl toluene-2,4-dicarbamate (CAS 7450-62-6) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-(ethoxycarbonylamino)-4-methylphenyl]carbamate
Also Known As: Diethyl toluene-2,4-dicarbamate, Diethyl 2,4-tolylenedicarbamate, 2,4-Bis(ethoxycarbonylamino)toluene, diethyl 2,4-toluendicarbamate, diethyl toluene- 2,4-dicarbamate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 7450-62-6 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC |
| InChIKey | PHYURWGMBQTCSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl toluene-2,4-dicarbamate (CAS 7450-62-6), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: ethyl N-[3-(ethoxycarbonylamino)-4-methylphenyl]carbamate.
Chemical Property Profile of Diethyl toluene-2,4-dicarbamate
Property Insights of Diethyl toluene-2,4-dicarbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl toluene-2,4-dicarbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl toluene-2,4-dicarbamate. Following Lipinski's Rule of Five, Diethyl toluene-2,4-dicarbamate has 2 hydrogen bond donor(s) and 4 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 Diethyl toluene-2,4-dicarbamate?
The CAS number of Diethyl toluene-2,4-dicarbamate is 7450-62-6.
What is the molecular formula of Diethyl toluene-2,4-dicarbamate?
The molecular formula of Diethyl toluene-2,4-dicarbamate is C13H18N2O4.
What is the molecular weight of Diethyl toluene-2,4-dicarbamate?
The molecular weight of Diethyl toluene-2,4-dicarbamate is 266.13 g/mol.
Where can I buy Diethyl toluene-2,4-dicarbamate?
You can request a quote for Diethyl toluene-2,4-dicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl toluene-2,4-dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl toluene-2,4-dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.