![2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/372/372087-10-0.png)
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 372087-10-0) is a chemical compound with molecular formula C17H13BrN2O2S2 and molecular weight 419.96 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-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)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 1-(4-bromophenyl)-2-[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanone
| Molecular Formula | C17H13BrN2O2S2 |
|---|---|
| Molecular Weight | 419.96 g/mol |
| LogP | 4.2108 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.96017 |
| Heavy Atoms | 24 |
| Complexity | 992.23346 |
Chemical Identifiers
| CAS Number | 372087-10-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 372087-10-0), with molecular formula C17H13BrN2O2S2 and molecular weight 419.96 g/mol. IUPAC: 10-[2-(4-bromophenyl)-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 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-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)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 4.2108 indicates that 2-((2-(4-bromophenyl)-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 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-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)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 372087-10-0.
What is the molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-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)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C17H13BrN2O2S2.
What is the molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-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)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 419.96 g/mol.
Where can I buy 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-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)-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)-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)-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.