![ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/898/898616-01-8.png)
ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 898616-01-8) is a chemical compound with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylprop-2-enyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylprop-2-en-1-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylprop-2-enyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C16H20N2O5S |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 1.27822 |
| Topological Polar Surface Area | 90.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.10928 |
| Heavy Atoms | 24 |
| Complexity | 919.16144 |
Chemical Identifiers
| CAS Number | 898616-01-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N(C(=O)N(C2=O)CCO)CC(=C)C)C |
Product Overview
ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 898616-01-8), with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol. IUPAC: ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylprop-2-enyl)-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 1.27822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate. The TPSA of 90.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 6 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 ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate is 898616-01-8.
What is the molecular formula of ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate is C16H20N2O5S.
What is the molecular weight of ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate is 352.11 g/mol.
Where can I buy ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2-hydroxyethyl)-5-methyl-1-(2-methylallyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.