EINECS 259-997-8
TL;DR: EINECS 259-997-8 (CAS 5611-14-3) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: EINECS 259-997-8, BAS 00547213, ethyl 4-(2-ethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ETHYL 4-(2-ETHOXYPHENYL)-1,6-DIMETHYL-2-OXO-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE, ethyl 6-(2-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.6185 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 639.2355 |
Chemical Identifiers
| CAS Number | 5611-14-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(=C(N(C(=O)N2)C)C)C(=O)OCC |
Product Overview
EINECS 259-997-8 (CAS 5611-14-3), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: ethyl 6-(2-ethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of EINECS 259-997-8
Property Insights of EINECS 259-997-8
The XLogP value of 2.6185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 259-997-8. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-997-8. Following Lipinski's Rule of Five, EINECS 259-997-8 has 1 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 EINECS 259-997-8?
The CAS number of EINECS 259-997-8 is 5611-14-3.
What is the molecular formula of EINECS 259-997-8?
The molecular formula of EINECS 259-997-8 is C17H22N2O4.
What is the molecular weight of EINECS 259-997-8?
The molecular weight of EINECS 259-997-8 is 318.16 g/mol.
Where can I buy EINECS 259-997-8?
You can request a quote for EINECS 259-997-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-997-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-997-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.