![2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone structure](/static/products/845/845631-52-9.png)
2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 845631-52-9) is a chemical compound with molecular formula C25H26N4O3S3 and molecular weight 526.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-{[5-(furan-2-yl)-2,2-dimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C25H26N4O3S3 |
|---|---|
| Molecular Weight | 526.12 g/mol |
| LogP | 5.7872 |
| Topological Polar Surface Area | 81.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.1167 |
| Heavy Atoms | 35 |
| Complexity | 1425.5258 |
Chemical Identifiers
| CAS Number | 845631-52-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC(=N4)SC)SCC(=O)N5CCCC5)C6=CC=CO6)C |
Product Overview
2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone (CAS 845631-52-9), with molecular formula C25H26N4O3S3 and molecular weight 526.12 g/mol. IUPAC: 2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 5.7872 indicates that 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 845631-52-9.
What is the molecular formula of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone is C25H26N4O3S3.
What is the molecular weight of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone is 526.12 g/mol.
Where can I buy 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-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-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.