![3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/680/680607-18-5.png)
3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 680607-18-5) is a chemical compound with molecular formula C25H21ClN2O4S2 and molecular weight 512.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-10-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(4-chlorophenyl)-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-(4-chlorophenyl)-10-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-3-(4-chlorophenyl)-3,5,6,7-tetrahyd rocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-one
| Molecular Formula | C25H21ClN2O4S2 |
|---|---|
| Molecular Weight | 512.06 g/mol |
| LogP | 5.5815 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.0631 |
| Heavy Atoms | 34 |
| Complexity | 1460.79 |
Chemical Identifiers
| CAS Number | 680607-18-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=C(C=C5)Cl)OC |
Product Overview
3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 680607-18-5), with molecular formula C25H21ClN2O4S2 and molecular weight 512.06 g/mol. IUPAC: 11-(4-chlorophenyl)-10-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 5.5815 indicates that 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-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. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one 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 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 680607-18-5.
What is the molecular formula of 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C25H21ClN2O4S2.
What is the molecular weight of 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 512.06 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-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 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-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.