![4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/488/488747-91-7.png)
4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 488747-91-7) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 5.126 |
| Topological Polar Surface Area | 53.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 1061.4756 |
Chemical Identifiers
| CAS Number | 488747-91-7 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC4=CC5=C(C=C4)OCO5 |
Product Overview
4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 488747-91-7), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-ethyl-12,12-dimethyl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 5.126 indicates that 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-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 53.47 Ų, 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 488747-91-7.
What is the molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C21H22N2O3S2.
What is the molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 414.11 g/mol.
Where can I buy 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-ethyl-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.