![4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine structure](/static/products/489/489464-39-3.png)
4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 489464-39-3) is a chemical compound with molecular formula C24H20N2O2S2 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
| Molecular Formula | C24H20N2O2S2 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 6.2581 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.09662 |
| Heavy Atoms | 30 |
| Complexity | 1237.1737 |
Chemical Identifiers
| CAS Number | 489464-39-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 |
Product Overview
4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 489464-39-3), with molecular formula C24H20N2O2S2 and molecular weight 432.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
The XLogP value of 6.2581 indicates that 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[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-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine has 0 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 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 489464-39-3.
What is the molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is C24H20N2O2S2.
What is the molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 432.10 g/mol.
Where can I buy 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[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-phenyl-5,6,7,8-tetrahydrobenzo[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-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.