Diethyl 1,4-phenylenebiscarbamate
TL;DR: Diethyl 1,4-phenylenebiscarbamate (CAS 6326-64-3) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(ethoxycarbonylamino)phenyl]carbamate
Also Known As: diethyl 1,4-phenylenebiscarbamate, p-Phenylenediurethane, Rivaroxaban Impurity 136, RIVAROXABAN IMPURITY 40, DIETHYL 1,4-PHENYLENEDICARBAMATE
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6326-64-3 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)NC(=O)OCC |
| InChIKey | OVTZQFJKYDXBAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1,4-phenylenebiscarbamate (CAS 6326-64-3), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: ethyl N-[4-(ethoxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of Diethyl 1,4-phenylenebiscarbamate
Property Insights of Diethyl 1,4-phenylenebiscarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,4-phenylenebiscarbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1,4-phenylenebiscarbamate. Following Lipinski's Rule of Five, Diethyl 1,4-phenylenebiscarbamate 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 1,4-phenylenebiscarbamate?
The CAS number of Diethyl 1,4-phenylenebiscarbamate is 6326-64-3.
What is the molecular formula of Diethyl 1,4-phenylenebiscarbamate?
The molecular formula of Diethyl 1,4-phenylenebiscarbamate is C12H16N2O4.
What is the molecular weight of Diethyl 1,4-phenylenebiscarbamate?
The molecular weight of Diethyl 1,4-phenylenebiscarbamate is 252.11 g/mol.
Where can I buy Diethyl 1,4-phenylenebiscarbamate?
You can request a quote for Diethyl 1,4-phenylenebiscarbamate 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-phenylenebiscarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,4-phenylenebiscarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.