![2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/3843/384368-88-1.webp)
2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 384368-88-1) is a chemical compound with molecular formula C24H20N2O3S2 and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1,3-benzodioxol-5-ylmethylsulfanyl)-11-(3-methylphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-(3-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-2-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
| Molecular Formula | C24H20N2O3S2 |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 5.26532 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.09152 |
| Heavy Atoms | 31 |
| Complexity | 1389.8413 |
Chemical Identifiers
| CAS Number | 384368-88-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCC6 |
Product Overview
2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 384368-88-1), with molecular formula C24H20N2O3S2 and molecular weight 448.09 g/mol. IUPAC: 10-(1,3-benzodioxol-5-ylmethylsulfanyl)-11-(3-methylphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 5.26532 indicates that 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one 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 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 384368-88-1.
What is the molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C24H20N2O3S2.
What is the molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 448.09 g/mol.
Where can I buy 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.