![4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/848/848689-05-4.png)
4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 848689-05-4) is a chemical compound with molecular formula C24H30N2O2S3 and molecular weight 474.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 6,6-dimethyl-4-{[4-(propan-2-yloxy)benzyl]sulfanyl}-2-(propan-2-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C24H30N2O2S3 |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 7.1226 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.14694 |
| Heavy Atoms | 31 |
| Complexity | 1058.8668 |
Chemical Identifiers
| CAS Number | 848689-05-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CSC2=NC(=NC3=C2C4=C(S3)COC(C4)(C)C)SC(C)C |
Product Overview
4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 848689-05-4), with molecular formula C24H30N2O2S3 and molecular weight 474.15 g/mol. IUPAC: 12,12-dimethyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 7.1226 indicates that 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 848689-05-4.
What is the molecular formula of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C24H30N2O2S3.
What is the molecular weight of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 474.15 g/mol.
Where can I buy 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-isopropoxybenzyl)thio)-2-(isopropylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.