Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
TL;DR: Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (CAS 94313-99-2) is a chemical compound with molecular formula C21H36N2O4 and molecular weight 380.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: EINECS 304-999-7, Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate, hexadecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate, hexadecyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate, 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid hexadecyl ester
| Molecular Formula | C21H36N2O4 |
|---|---|
| Molecular Weight | 380.27 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 380.26752 |
| Heavy Atoms | 27 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 94313-99-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1 |
| InChIKey | GKFRQFYVSXXTFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (CAS 94313-99-2), with molecular formula C21H36N2O4 and molecular weight 380.27 g/mol. IUPAC: hexadecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
Property Insights of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
The XLogP value of 6.8 indicates that Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The CAS number of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate is 94313-99-2.
What is the molecular formula of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The molecular formula of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate is C21H36N2O4.
What is the molecular weight of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The molecular weight of Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate is 380.27 g/mol.
Where can I buy Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
You can request a quote for Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.