![ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate structure](/static/products/459/459418-47-4.png)
ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
TL;DR: ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 459418-47-4) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 5-methyl-3-(3-methylbutyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 5-methyl-3-(3-methylbutyl)-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-car boxylate, ethyl 5-methyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 459418-47-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCC(C)C)C |
| InChIKey | RGNCSQYHILMVHL-UHFFFAOYSA-N |
Product Overview
ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 459418-47-4), with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol. IUPAC: ethyl 5-methyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Property Insights of ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
The XLogP value of 3.5 indicates that ethyl 3-isopentyl-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-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 3-isopentyl-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-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The CAS number of ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is 459418-47-4.
What is the molecular formula of ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular formula of ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is C15H20N2O3S.
What is the molecular weight of ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
The molecular weight of ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate is 308.12 g/mol.
Where can I buy ethyl 3-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
You can request a quote for ethyl 3-isopentyl-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-isopentyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-isopentyl-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.