![2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/6184/618432-45-4.webp)
2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 618432-45-4) is a chemical compound with molecular formula C23H16BrClN2O2S2 and molecular weight 529.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-{[2-(4-BROMOPHENYL)-2-OXOETHYL]SULFANYL}-3-(4-CHLOROPHENYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 10-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 2-((2-(4-BROMOPHENYL)-2-OXOETHYL)SULFANYL)-3-(4-CHLOROPHENYL)-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA(4,5)THIENO(2,3-D)PYRIMIDIN-4-ONE, 2-[2-(4-bromophenyl)-2-oxoethylthio]-3-(4-chlorophenyl)-3,5,6,7-tetrahydrocycl openta[2,1-d]pyrimidino[4,5-b]thiophen-4-one
| Molecular Formula | C23H16BrClN2O2S2 |
|---|---|
| Molecular Weight | 529.95 g/mol |
| LogP | 6.3268 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 529.9525 |
| Heavy Atoms | 31 |
| Complexity | 1361.8483 |
Chemical Identifiers
| CAS Number | 618432-45-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Cl |
Product Overview
2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 618432-45-4), with molecular formula C23H16BrClN2O2S2 and molecular weight 529.95 g/mol. IUPAC: 10-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 6.3268 indicates that 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-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 51.96 Ų, 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-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-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 618432-45-4.
What is the molecular formula of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C23H16BrClN2O2S2.
What is the molecular weight of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 529.95 g/mol.
Where can I buy 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-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-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-Bromophenyl)-2-oxoethyl)thio)-3-(4-chlorophenyl)-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.