![2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone structure](/static/products/6906/690643-78-8.webp)
2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
TL;DR: 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 690643-78-8) is a chemical compound with molecular formula C22H27N3O2S2 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 2-({10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one, 2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone, 2-{10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9,11-tetraen-12-ylthio}-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-1-ethanone
| Molecular Formula | C22H27N3O2S2 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 4.78214 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.15448 |
| Heavy Atoms | 29 |
| Complexity | 1068.1173 |
Chemical Identifiers
| CAS Number | 690643-78-8 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)C4=C(N(C(=C4)C)CCOC)C |
Product Overview
2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 690643-78-8), with molecular formula C22H27N3O2S2 and molecular weight 429.15 g/mol. IUPAC: 2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
Property Insights of 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
The XLogP value of 4.78214 indicates that 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-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 57.01 Ų, 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-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-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone has 0 hydrogen bond donor(s) and 6 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-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The CAS number of 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is 690643-78-8.
What is the molecular formula of 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular formula of 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is C22H27N3O2S2.
What is the molecular weight of 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular weight of 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is 429.15 g/mol.
Where can I buy 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
You can request a quote for 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-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-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.