![methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate structure](/static/products/851/851409-84-2.png)
methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate
TL;DR: methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate (CAS 851409-84-2) is a chemical compound with molecular formula C14H20N2O3S2 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate
Also Known As: methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate, methyl 2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)butanoate, methyl 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate, methyl 2-(6-ethyl-2-methyl-7-oxo-1-thia-4,6-diaza-5-indanylthio)butyrate
| Molecular Formula | C14H20N2O3S2 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.3436 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.09152 |
| Heavy Atoms | 21 |
| Complexity | 600.6173 |
Chemical Identifiers
| CAS Number | 851409-84-2 |
|---|---|
| SMILES | CCC(C(=O)OC)SC1=NC2=C(C(=O)N1CC)SC(C2)C |
Product Overview
methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate (CAS 851409-84-2), with molecular formula C14H20N2O3S2 and molecular weight 328.09 g/mol. IUPAC: methyl 2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanoate.
Chemical Property Profile of methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate
Property Insights of methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate
The XLogP value of 2.3436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate. Following Lipinski's Rule of Five, methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate has 0 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 methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate?
The CAS number of methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate is 851409-84-2.
What is the molecular formula of methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate?
The molecular formula of methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate is C14H20N2O3S2.
What is the molecular weight of methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate?
The molecular weight of methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate is 328.09 g/mol.
Where can I buy methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate?
You can request a quote for methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({3-ethyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.