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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- structure
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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-

TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- (CAS 101098-71-9) is a chemical compound with molecular formula C14H24N2O3 and molecular weight 268.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-(3,7-dimethyloctyl)-1,3-diazinane-2,4,6-trione

Also Known As: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-, 5-(3,7-dimethyloctyl)-1,3-diazinane-2,4,6-trione, J1.041.614K, 5-(3,7-dimethyloctyl)pyrimidine-2,4,6(1H,3H,5H)-trione

CAS Number
101098-71-9
Molecular Formula
C14H24N2O3
Molecular Weight
268.17868 g/mol
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Technical Specifications

Molecular FormulaC14H24N2O3
Molecular Weight268.17868 g/mol
XLogP3.4
Topological Polar Surface Area (TPSA)75.3 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds7
Exact Mass268.17868 Da
Heavy Atoms19
Complexity333.0
SMILESCC(C)CCCC(C)CCC1C(=O)NC(=O)NC1=O
InChIKeyLTNFEXOLEMCQMK-UHFFFAOYSA-N

Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-

XLogP
3.4
TPSA (Topological Polar Surface Area)
75.3
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
7
Heavy Atoms
19
Complexity
333.0
Exact Mass
268.17868
Monoisotopic Mass
268.17868
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-

The XLogP value of 3.4 indicates that 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-?

The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- is 101098-71-9.

What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-?

The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- is C14H24N2O3.

What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-?

The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- is 268.17868 g/mol.

Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-?

You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-?

Yes, CoreyChem provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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