![ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate structure](/static/products/4888/488826-00-2.webp)
ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate
TL;DR: ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate (CAS 488826-00-2) is a chemical compound with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[13-(2-methylprop-2-enyl)-12-oxo-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-14-yl]sulfanyl]acetate
Also Known As: ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate, ethyl {[8-(2-methylprop-2-en-1-yl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl]sulfanyl}acetate
| Molecular Formula | C22H22N2O3S2 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 4.4549 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.10718 |
| Heavy Atoms | 29 |
| Complexity | 1176.7495 |
Chemical Identifiers
| CAS Number | 488826-00-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC(=C)C |
Product Overview
ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate (CAS 488826-00-2), with molecular formula C22H22N2O3S2 and molecular weight 426.11 g/mol. IUPAC: ethyl 2-[[13-(2-methylprop-2-enyl)-12-oxo-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-14-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate
Property Insights of ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate
The XLogP value of 4.4549 indicates that ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate 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 ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate?
The CAS number of ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate is 488826-00-2.
What is the molecular formula of ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate?
The molecular formula of ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate is C22H22N2O3S2.
What is the molecular weight of ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate?
The molecular weight of ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate is 426.11 g/mol.
Where can I buy ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate?
You can request a quote for ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((8-(2-methylallyl)-7-oxo-5,6,7,8-tetrahydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-9-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.