![2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione structure](/static/products/799/799798-77-9.png)
2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione
TL;DR: 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione (CAS 799798-77-9) is a chemical compound with molecular formula C28H25N3O5S2 and molecular weight 547.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-(4-methoxyphenyl)-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]ethyl]isoindole-1,3-dione
Also Known As: 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione, 2-(2-{[3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C28H25N3O5S2 |
|---|---|
| Molecular Weight | 547.12 g/mol |
| LogP | 4.6954 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.12354 |
| Heavy Atoms | 38 |
| Complexity | 1620.7644 |
Chemical Identifiers
| CAS Number | 799798-77-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)OC)C |
Product Overview
2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione (CAS 799798-77-9), with molecular formula C28H25N3O5S2 and molecular weight 547.12 g/mol. IUPAC: 2-[2-[[4-(4-methoxyphenyl)-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione
Property Insights of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione
The XLogP value of 4.6954 indicates that 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione?
The CAS number of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione is 799798-77-9.
What is the molecular formula of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione?
The molecular formula of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione is C28H25N3O5S2.
What is the molecular weight of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione?
The molecular weight of 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione is 547.12 g/mol.
Where can I buy 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione?
You can request a quote for 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)ethyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.