![2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/499/499119-23-2.png)
2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 499119-23-2) is a chemical compound with molecular formula C21H24N2O2S3 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C21H24N2O2S3 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 5.632 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.1 |
| Heavy Atoms | 28 |
| Complexity | 1051.9382 |
Chemical Identifiers
| CAS Number | 499119-23-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CSC(C4)(C)C)C(=O)N2 |
Product Overview
2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 499119-23-2), with molecular formula C21H24N2O2S3 and molecular weight 432.10 g/mol. IUPAC: 12,12-dimethyl-5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-8,11-dithia-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)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 5.632 indicates that 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[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 54.98 Ų, 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[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)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 1 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)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 499119-23-2.
What is the molecular formula of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C21H24N2O2S3.
What is the molecular weight of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 432.10 g/mol.
Where can I buy 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[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)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-isopropoxybenzyl)thio)-6,6-dimethyl-5,6-dihydro-3H-thiopyrano[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.