Difebarbamate
TL;DR: Difebarbamate (CAS 15687-09-9) is a chemical compound with molecular formula C28H42N4O9 and molecular weight 578.29517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-butoxy-3-[3-(3-butoxy-2-carbamoyloxypropyl)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propan-2-yl] carbamate
Also Known As: Difebarbamate, Difebarbamato, Difebarbamatum, Difebarbamat, Atrium
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H42N4O9 |
| Molecular Weight | 578.29517 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 578.29517 Da |
| Heavy Atoms | 41 |
| Complexity | 838.0 |
| SMILES | CCCCOCC(CN1C(=O)C(C(=O)N(C1=O)CC(COCCCC)OC(=O)N)(CC)C2=CC=CC=C2)OC(=O)N |
| InChIKey | GJJRIOLBUILIGK-UHFFFAOYSA-N |
Chemical Property Profile of Difebarbamate
Property Insights of Difebarbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difebarbamate. The TPSA of 181.0 Ų indicates high polarity, suggesting Difebarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Difebarbamate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Difebarbamate?
The CAS number of Difebarbamate is 15687-09-9.
What is the molecular formula of Difebarbamate?
The molecular formula of Difebarbamate is C28H42N4O9.
What is the molecular weight of Difebarbamate?
The molecular weight of Difebarbamate is 578.29517 g/mol.
Where can I buy Difebarbamate?
You can request a quote for Difebarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Difebarbamate?
Yes, CoreyChem provides custom synthesis services for Difebarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.