![2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE structure](/static/products/385/385393-75-9.png)
2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
TL;DR: 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE (CAS 385393-75-9) is a chemical compound with molecular formula C21H24N2O2S2 and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-(3-methylphenyl)-5-propan-2-ylsulfanyl-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-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 2-(isopropylthio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-3-(3-methylphenyl)-2-(propan-2-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H24N2O2S2 |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 5.10742 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.12793 |
| Heavy Atoms | 27 |
| Complexity | 1079.7106 |
Chemical Identifiers
| CAS Number | 385393-75-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C)SC4=C3CC(OC4)(C)C |
Product Overview
2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE (CAS 385393-75-9), with molecular formula C21H24N2O2S2 and molecular weight 400.13 g/mol. IUPAC: 12,12-dimethyl-4-(3-methylphenyl)-5-propan-2-ylsulfanyl-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-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Property Insights of 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
The XLogP value of 5.10742 indicates that 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
The CAS number of 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE is 385393-75-9.
What is the molecular formula of 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
The molecular formula of 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE is C21H24N2O2S2.
What is the molecular weight of 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
The molecular weight of 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE is 400.13 g/mol.
Where can I buy 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
You can request a quote for 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE?
Yes, KEHONG BIO provides custom synthesis services for 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.