Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
TL;DR: Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (CAS 88280-81-3) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: EINECS 289-399-2, Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate, octyl 2,4-dioxo-1H-pyrimidine-6-carboxylate, octyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate, Octyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 1.5805 |
| Topological Polar Surface Area | 92.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 475.60495 |
Chemical Identifiers
| CAS Number | 88280-81-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1 |
Product Overview
Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (CAS 88280-81-3), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: octyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
Property Insights of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
The XLogP value of 1.5805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate. The TPSA of 92.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The CAS number of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate is 88280-81-3.
What is the molecular formula of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The molecular formula of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate is C13H20N2O4.
What is the molecular weight of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The molecular weight of Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate is 268.14 g/mol.
Where can I buy Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
You can request a quote for Octyl 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 Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.