![ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate structure](/static/products/373/373372-78-2.png)
ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
TL;DR: ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate (CAS 373372-78-2) is a chemical compound with molecular formula C19H26N2O4S2 and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[12,12-dimethyl-4-(2-methylpropyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
Also Known As: ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, ethyl 2-((3-isobutyl-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C19H26N2O4S2 |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 3.6205 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1334 |
| Heavy Atoms | 27 |
| Complexity | 914.5509 |
Chemical Identifiers
| CAS Number | 373372-78-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC(C)C |
Product Overview
ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate (CAS 373372-78-2), with molecular formula C19H26N2O4S2 and molecular weight 410.13 g/mol. IUPAC: ethyl 2-[[12,12-dimethyl-4-(2-methylpropyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Property Insights of ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
The XLogP value of 3.6205 indicates that ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 7 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 {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
The CAS number of ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is 373372-78-2.
What is the molecular formula of ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
The molecular formula of ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is C19H26N2O4S2.
What is the molecular weight of ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
The molecular weight of ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is 410.13 g/mol.
Where can I buy ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
You can request a quote for ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.