Difebarbamate mixture with febarbamate and phenobarbital
TL;DR: Difebarbamate mixture with febarbamate and phenobarbital (CAS 60763-47-5) is a chemical compound with molecular formula C60H81N9O18 and molecular weight 1215.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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;[1-butoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Tetrabamate, Atrium (drug), Atrium 300, KST-1A6654, difebarbamate - febarbamate - phenobarbital
| Molecular Formula | C60H81N9O18 |
|---|---|
| Molecular Weight | 1215.57 g/mol |
| LogP | 5.08 |
| Topological Polar Surface Area | 384.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 33 |
| Exact Mass | 1215.57 |
| Heavy Atoms | 87 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 60763-47-5 |
|---|---|
| SMILES | CCCCOCC(CN1C(=O)C(C(=O)NC1=O)(CC)C2=CC=CC=C2)OC(=O)N.CCCCOCC(CN1C(=O)C(C(=O)N(C1=O)CC(COCCCC)OC(=O)N)(CC)C2=CC=CC=C2)OC(=O)N.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 |
| InChIKey | HYAMLWDZZVMLGY-UHFFFAOYSA-N |
Product Overview
Difebarbamate mixture with febarbamate and phenobarbital (CAS 60763-47-5), with molecular formula C60H81N9O18 and molecular weight 1215.57 g/mol. IUPAC: [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;[1-butoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Difebarbamate mixture with febarbamate and phenobarbital
Property Insights of Difebarbamate mixture with febarbamate and phenobarbital
The XLogP value of 5.08 indicates that Difebarbamate mixture with febarbamate and phenobarbital is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 384.0 Ų indicates high polarity, suggesting Difebarbamate mixture with febarbamate and phenobarbital may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Difebarbamate mixture with febarbamate and phenobarbital has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Difebarbamate mixture with febarbamate and phenobarbital?
The CAS number of Difebarbamate mixture with febarbamate and phenobarbital is 60763-47-5.
What is the molecular formula of Difebarbamate mixture with febarbamate and phenobarbital?
The molecular formula of Difebarbamate mixture with febarbamate and phenobarbital is C60H81N9O18.
What is the molecular weight of Difebarbamate mixture with febarbamate and phenobarbital?
The molecular weight of Difebarbamate mixture with febarbamate and phenobarbital is 1215.57 g/mol.
Where can I buy Difebarbamate mixture with febarbamate and phenobarbital?
You can request a quote for Difebarbamate mixture with febarbamate and phenobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difebarbamate mixture with febarbamate and phenobarbital?
Yes, KEHONG BIO provides custom synthesis services for Difebarbamate mixture with febarbamate and phenobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.