![2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone structure](/static/products/6702/670269-88-2.webp)
2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
TL;DR: 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 670269-88-2) is a chemical compound with molecular formula C25H25N3OS2 and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, F1142-4458, 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
| Molecular Formula | C25H25N3OS2 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 6.17938 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.1439 |
| Heavy Atoms | 31 |
| Complexity | 1332.5344 |
Chemical Identifiers
| CAS Number | 670269-88-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5)C)C |
Product Overview
2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 670269-88-2), with molecular formula C25H25N3OS2 and molecular weight 447.14 g/mol. IUPAC: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
Property Insights of 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
The XLogP value of 6.17938 indicates that 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone 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-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The CAS number of 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is 670269-88-2.
What is the molecular formula of 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular formula of 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is C25H25N3OS2.
What is the molecular weight of 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular weight of 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is 447.14 g/mol.
Where can I buy 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
You can request a quote for 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.