![2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/488/488826-99-9.png)
2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 488826-99-9) is a chemical compound with molecular formula C30H34N2O3S2 and molecular weight 534.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethyl)-12-propan-2-yl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-(2-phenylethyl)-6-(propan-2-yl)-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C30H34N2O3S2 |
|---|---|
| Molecular Weight | 534.20 g/mol |
| LogP | 6.8775 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 534.2011 |
| Heavy Atoms | 37 |
| Complexity | 1409.0383 |
Chemical Identifiers
| CAS Number | 488826-99-9 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)OC(C)C)CCC5=CC=CC=C5 |
Product Overview
2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 488826-99-9), with molecular formula C30H34N2O3S2 and molecular weight 534.20 g/mol. IUPAC: 4-(2-phenylethyl)-12-propan-2-yl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 6.8775 indicates that 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 488826-99-9.
What is the molecular formula of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C30H34N2O3S2.
What is the molecular weight of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 534.20 g/mol.
Where can I buy 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-isopropoxybenzyl)thio)-6-isopropyl-3-phenethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.