![2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/380/380474-75-9.png)
2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 380474-75-9) is a chemical compound with molecular formula C21H15Cl3N2OS2 and molecular weight 479.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(4-chlorobenzyl)sulfanyl]-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H15Cl3N2OS2 |
|---|---|
| Molecular Weight | 479.97 g/mol |
| LogP | 7.31654 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.96915 |
| Heavy Atoms | 29 |
| Complexity | 1280.0613 |
Chemical Identifiers
| CAS Number | 380474-75-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl)C |
Product Overview
2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 380474-75-9), with molecular formula C21H15Cl3N2OS2 and molecular weight 479.97 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 7.31654 indicates that 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-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-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-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-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 380474-75-9.
What is the molecular formula of 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is C21H15Cl3N2OS2.
What is the molecular weight of 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one is 479.97 g/mol.
Where can I buy 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-chlorobenzyl)thio)-3-(3,4-dichlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.