![1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one structure](/static/products/849/849044-87-7.png)
1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one
TL;DR: 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one (CAS 849044-87-7) is a chemical compound with molecular formula C15H18N2OS2 and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butan-2-one
Also Known As: 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one, 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethyl-butan-2-one, 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylthio)-3,3-dimethyl-2-butanone, 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylthio)-3,3-dimethyl-butan-2-one, 1-[(6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]-3,3-dimethylbutan-2-one
| Molecular Formula | C15H18N2OS2 |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.8873 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.08606 |
| Heavy Atoms | 20 |
| Complexity | 670.2987 |
Chemical Identifiers
| CAS Number | 849044-87-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3 |
Product Overview
1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one (CAS 849044-87-7), with molecular formula C15H18N2OS2 and molecular weight 306.09 g/mol. IUPAC: 3,3-dimethyl-1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)butan-2-one.
Chemical Property Profile of 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one
Property Insights of 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one
The XLogP value of 3.8873 indicates that 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one has 0 hydrogen bond donor(s) and 5 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 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one?
The CAS number of 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one is 849044-87-7.
What is the molecular formula of 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one?
The molecular formula of 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one is C15H18N2OS2.
What is the molecular weight of 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one?
The molecular weight of 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one is 306.09 g/mol.
Where can I buy 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one?
You can request a quote for 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylsulfanyl)-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.