![3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/6809/680995-84-0.webp)
3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 680995-84-0) is a chemical compound with molecular formula C24H19ClN2O3S2 and molecular weight 482.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-10-[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3-(4-chlorophenyl)-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 11-(4-chlorophenyl)-10-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 3-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-2-oxoethylthio]-3,5,6,7-tetrahydrocy clopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-one
| Molecular Formula | C24H19ClN2O3S2 |
|---|---|
| Molecular Weight | 482.05 g/mol |
| LogP | 5.5729 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.05255 |
| Heavy Atoms | 32 |
| Complexity | 1375.8844 |
Chemical Identifiers
| CAS Number | 680995-84-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=C(C=C5)Cl |
Product Overview
3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 680995-84-0), with molecular formula C24H19ClN2O3S2 and molecular weight 482.05 g/mol. IUPAC: 11-(4-chlorophenyl)-10-[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 5.5729 indicates that 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is 680995-84-0.
What is the molecular formula of 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is C24H19ClN2O3S2.
What is the molecular weight of 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one is 482.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.