![Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/4579/457910-74-6.webp)
Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 457910-74-6) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 5-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, ethyl 3-isobutyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate, thieno[2,3-d]pyrimidine-6-carboxylic acid, 3,4-dihydro-5-methyl-3-(2-methylpropyl)-4-oxo-, ethyl ester
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 457910-74-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(C)C)C |
| InChIKey | RACAXUBNAMIHIM-UHFFFAOYSA-N |
Product Overview
Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 457910-74-6), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: ethyl 5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 3.2 indicates that Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 5 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-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is 457910-74-6.
What is the molecular formula of Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is C14H18N2O3S.
What is the molecular weight of Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is 294.10 g/mol.
Where can I buy Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[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-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.