1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one
TL;DR: 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one (CAS 32831-01-9) is a chemical compound with molecular formula C36H70N2O2 and molecular weight 562.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hexadecanoyl-1,3-diazinan-1-yl)hexadecan-1-one
Also Known As: 1,3-Dipalmitoylhexahydropyrimidin, KST-1B3126, 1,1'-dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one, 1-(3-hexadecanoyl-1,3-diazinan-1-yl)hexadecan-1-one, 1,1'-(1,3-Diazinane-1,3-diyl)di(hexadecan-1-one)
| Molecular Formula | C36H70N2O2 |
|---|---|
| Molecular Weight | 562.54 g/mol |
| LogP | 14.1 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 28 |
| Exact Mass | 562.5437 |
| Heavy Atoms | 40 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 32831-01-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N1CCCN(C1)C(=O)CCCCCCCCCCCCCCC |
| InChIKey | YVUCHERXMJYDBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one (CAS 32831-01-9), with molecular formula C36H70N2O2 and molecular weight 562.54 g/mol. IUPAC: 1-(3-hexadecanoyl-1,3-diazinan-1-yl)hexadecan-1-one.
Chemical Property Profile of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one
Property Insights of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one
The XLogP value of 14.1 indicates that 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one?
The CAS number of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one is 32831-01-9.
What is the molecular formula of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one?
The molecular formula of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one is C36H70N2O2.
What is the molecular weight of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one?
The molecular weight of 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one is 562.54 g/mol.
Where can I buy 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one?
You can request a quote for 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Dihydropyrimidine-1,3(2h,4h)-diyldihexadecan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.