Diethyl 1,4-phenylenebis(methylcarbamate)
TL;DR: Diethyl 1,4-phenylenebis(methylcarbamate) (CAS 13592-40-0) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-[ethoxycarbonyl(methyl)amino]phenyl]-N-methylcarbamate
Also Known As: Diethyl 1,4-phenylenebis(methylcarbamate), ethyl N-[4-[ethoxycarbonyl(methyl)amino]phenyl]-N-methylcarbamate, ETHYL N-[4-(ETHOXYCARBONYL-METHYL-AMINO)PHENYL]-N-METHYL-CARBAMATE
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 13592-40-0 |
|---|---|
| SMILES | CCOC(=O)N(C)C1=CC=C(C=C1)N(C)C(=O)OCC |
| InChIKey | ACCUWKRXIUSVCP-UHFFFAOYSA-N |
Product Overview
Diethyl 1,4-phenylenebis(methylcarbamate) (CAS 13592-40-0), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: ethyl N-[4-[ethoxycarbonyl(methyl)amino]phenyl]-N-methylcarbamate.
Chemical Property Profile of Diethyl 1,4-phenylenebis(methylcarbamate)
Property Insights of Diethyl 1,4-phenylenebis(methylcarbamate)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,4-phenylenebis(methylcarbamate). With a topological polar surface area (TPSA) of 59.1 Ų, Diethyl 1,4-phenylenebis(methylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1,4-phenylenebis(methylcarbamate) has 0 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 1,4-phenylenebis(methylcarbamate)?
The CAS number of Diethyl 1,4-phenylenebis(methylcarbamate) is 13592-40-0.
What is the molecular formula of Diethyl 1,4-phenylenebis(methylcarbamate)?
The molecular formula of Diethyl 1,4-phenylenebis(methylcarbamate) is C14H20N2O4.
What is the molecular weight of Diethyl 1,4-phenylenebis(methylcarbamate)?
The molecular weight of Diethyl 1,4-phenylenebis(methylcarbamate) is 280.14 g/mol.
Where can I buy Diethyl 1,4-phenylenebis(methylcarbamate)?
You can request a quote for Diethyl 1,4-phenylenebis(methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,4-phenylenebis(methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,4-phenylenebis(methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.