![1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone structure](/static/products/373/373377-29-8.png)
1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone
TL;DR: 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone (CAS 373377-29-8) is a chemical compound with molecular formula C23H20BrN3OS2 and molecular weight 497.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(8-ethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone, 1-(4-bromophenyl)-2-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]ethanone
| Molecular Formula | C23H20BrN3OS2 |
|---|---|
| Molecular Weight | 497.02 g/mol |
| LogP | 6.4182 |
| Topological Polar Surface Area | 55.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.02313 |
| Heavy Atoms | 30 |
| Complexity | 1267.4094 |
Chemical Identifiers
| CAS Number | 373377-29-8 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC(=O)C5=CC=C(C=C5)Br |
Product Overview
1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone (CAS 373377-29-8), with molecular formula C23H20BrN3OS2 and molecular weight 497.02 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(8-ethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone
Property Insights of 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone
The XLogP value of 6.4182 indicates that 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.74 Ų, 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone 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 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone?
The CAS number of 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone is 373377-29-8.
What is the molecular formula of 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone?
The molecular formula of 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone is C23H20BrN3OS2.
What is the molecular weight of 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone?
The molecular weight of 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone is 497.02 g/mol.
Where can I buy 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone?
You can request a quote for 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-2-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.