![2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide structure](/static/products/848/848766-10-9.png)
2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide
TL;DR: 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide (CAS 848766-10-9) is a chemical compound with molecular formula C21H25N3O3S3 and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12,12-dimethyl-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide, 2-[(12,12-Dimethyl-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-[(6,6-dimethyl-2-propan-2-ylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-[(6,6-dimethyl-2-propan-2-ylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide, 2-{[6,6-dimethyl-2-(propan-2-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C21H25N3O3S3 |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.1058 |
| Heavy Atoms | 30 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 848766-10-9 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)NCC4=CC=CO4 |
| InChIKey | XRTAWJHHBGVNEE-UHFFFAOYSA-N |
Product Overview
2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide (CAS 848766-10-9), with molecular formula C21H25N3O3S3 and molecular weight 463.11 g/mol. IUPAC: 2-[(12,12-dimethyl-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide
Property Insights of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide
The XLogP value of 4.3 indicates that 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide?
The CAS number of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide is 848766-10-9.
What is the molecular formula of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide?
The molecular formula of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide is C21H25N3O3S3.
What is the molecular weight of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide?
The molecular weight of 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide is 463.11 g/mol.
Where can I buy 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide?
You can request a quote for 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.