![2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide structure](/static/products/6188/618880-57-2.webp)
2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide
TL;DR: 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide (CAS 618880-57-2) is a chemical compound with molecular formula C28H28BrN3O2S2 and molecular weight 581.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide
Also Known As: 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide, 2-{[3-(4-BROMOPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N-(4-SEC-BUTYLPHENYL)ACETAMIDE, 2-((3-(4-BROMOPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)-N-(4-SEC-BUTYLPHENYL)ACETAMIDE, 2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide, 2-[3-(4-bromophenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimid in-2-ylthio)]-N-[4-(methylpropyl)phenyl]acetamide
| Molecular Formula | C28H28BrN3O2S2 |
|---|---|
| Molecular Weight | 581.08 g/mol |
| LogP | 7.3328 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 581.0806 |
| Heavy Atoms | 36 |
| Complexity | 1459.6742 |
Chemical Identifiers
| CAS Number | 618880-57-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br |
Product Overview
2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide (CAS 618880-57-2), with molecular formula C28H28BrN3O2S2 and molecular weight 581.08 g/mol. IUPAC: 2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide.
Chemical Property Profile of 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide
Property Insights of 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide
The XLogP value of 7.3328 indicates that 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide has 1 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-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide?
The CAS number of 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide is 618880-57-2.
What is the molecular formula of 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide?
The molecular formula of 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide is C28H28BrN3O2S2.
What is the molecular weight of 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide?
The molecular weight of 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide is 581.08 g/mol.
Where can I buy 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide?
You can request a quote for 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.