![N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide structure](/static/products/799/799784-78-4.png)
N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
TL;DR: N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide (CAS 799784-78-4) is a chemical compound with molecular formula C18H16BrN3OS3 and molecular weight 464.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(10-methylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
Also Known As: N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(4-bromophenyl)-2-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C18H16BrN3OS3 |
|---|---|
| Molecular Weight | 464.96 g/mol |
| LogP | 5.3952 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.9639 |
| Heavy Atoms | 26 |
| Complexity | 971.9669 |
Chemical Identifiers
| CAS Number | 799784-78-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC=C(C=C4)Br |
Product Overview
N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide (CAS 799784-78-4), with molecular formula C18H16BrN3OS3 and molecular weight 464.96 g/mol. IUPAC: N-(4-bromophenyl)-2-[(10-methylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
Property Insights of N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide
The XLogP value of 5.3952 indicates that N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide has 1 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 N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
The CAS number of N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is 799784-78-4.
What is the molecular formula of N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
The molecular formula of N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is C18H16BrN3OS3.
What is the molecular weight of N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
The molecular weight of N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is 464.96 g/mol.
Where can I buy N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
You can request a quote for N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-2-((2-(methylthio)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.