Adiphene
TL;DR: Adiphene (CAS 100596-78-9) is a chemical compound with molecular formula C30H30N4O8 and molecular weight 574.20636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-1-[6-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-6-oxohexanoyl]-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Adiphene, N,N'-Bis-adipoylphenobarbital, J2.387.125D, 5-ethyl-1-[6-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-6-oxohexanoyl]-5-phenyl-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,1'-(1,6-dioxo-1,6-hexanediyl)bis(5-ethyl-5-phenyl-
Technical Specifications
| Molecular Formula | C30H30N4O8 |
| Molecular Weight | 574.20636 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 574.20636 Da |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C(=O)CCCCC(=O)N2C(=O)C(C(=O)NC2=O)(CC)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | KGGYJLFQFUTMDA-UHFFFAOYSA-N |
Chemical Property Profile of Adiphene
Property Insights of Adiphene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adiphene. The TPSA of 167.0 Ų indicates high polarity, suggesting Adiphene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adiphene has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Adiphene?
The CAS number of Adiphene is 100596-78-9.
What is the molecular formula of Adiphene?
The molecular formula of Adiphene is C30H30N4O8.
What is the molecular weight of Adiphene?
The molecular weight of Adiphene is 574.20636 g/mol.
Where can I buy Adiphene?
You can request a quote for Adiphene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adiphene?
Yes, CoreyChem provides custom synthesis services for Adiphene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.