![2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/369/369403-80-5.png)
2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 369403-80-5) is a chemical compound with molecular formula C23H18Cl2N2OS2 and molecular weight 472.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(3,4-dichlorophenyl)methylsulfanyl]-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-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(3-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H18Cl2N2OS2 |
|---|---|
| Molecular Weight | 472.02 g/mol |
| LogP | 6.84342 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.02377 |
| Heavy Atoms | 30 |
| Complexity | 1343.2786 |
Chemical Identifiers
| CAS Number | 369403-80-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC(=C(C=C4)Cl)Cl)SC5=C3CCC5 |
Product Overview
2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 369403-80-5), with molecular formula C23H18Cl2N2OS2 and molecular weight 472.02 g/mol. IUPAC: 10-[(3,4-dichlorophenyl)methylsulfanyl]-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-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 6.84342 indicates that 2-((3,4-dichlorobenzyl)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 34.89 Ų, 2-((3,4-dichlorobenzyl)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-((3,4-dichlorobenzyl)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 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 369403-80-5.
What is the molecular formula of 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C23H18Cl2N2OS2.
What is the molecular weight of 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 2-((3,4-dichlorobenzyl)thio)-3-(m-tolyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 472.02 g/mol.
Where can I buy 2-((3,4-dichlorobenzyl)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-((3,4-dichlorobenzyl)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-((3,4-dichlorobenzyl)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-((3,4-dichlorobenzyl)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.