Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)
TL;DR: Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) (CAS 92736-12-4) is a chemical compound with molecular formula C22H32N6O6 and molecular weight 476.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino]octylamino]-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate), ethyl 2-[8-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino], ethyl2-[8-[ amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate, ETHYL 2-[8-[(5-ETHOXYCARBONYL-4-OXO-3H-PYRIMIDIN-2-YL)AMINO]OCTYLAMINO]-4-OXO-3H-PYRIMIDINE-5-CARBOXYLATE, ethyl 2-[8-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino]octylamino]-6-oxo-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H32N6O6 |
|---|---|
| Molecular Weight | 476.24 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 476.23834 |
| Heavy Atoms | 34 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 92736-12-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)NCCCCCCCCNC2=NC=C(C(=O)N2)C(=O)OCC |
| InChIKey | LCRRLBLWHVDMPB-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) (CAS 92736-12-4), with molecular formula C22H32N6O6 and molecular weight 476.24 g/mol. IUPAC: ethyl 2-[8-[(5-ethoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)amino]octylamino]-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)
Property Insights of Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate). The TPSA of 160.0 Ų indicates high polarity, suggesting Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) has 4 hydrogen bond donor(s) and 8 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 Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)?
The CAS number of Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) is 92736-12-4.
What is the molecular formula of Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)?
The molecular formula of Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) is C22H32N6O6.
What is the molecular weight of Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)?
The molecular weight of Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) is 476.24 g/mol.
Where can I buy Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)?
You can request a quote for Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-(octane-1,8-diylbis(azanediyl))bis(6-oxo-1,6-dihydropyrimidine-5-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.