![2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol structure](/static/products/846/846579-23-5.png)
2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol
TL;DR: 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol (CAS 846579-23-5) is a chemical compound with molecular formula C21H19N3OS3 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanol
Also Known As: 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol, 2-{[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}ethanol
| Molecular Formula | C21H19N3OS3 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 5.2015 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.06903 |
| Heavy Atoms | 28 |
| Complexity | 1174.4155 |
Chemical Identifiers
| CAS Number | 846579-23-5 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)SCCO)SC3=C2C4=C(CCC4)C(=N3)C5=CC=CC=C5 |
Product Overview
2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol (CAS 846579-23-5), with molecular formula C21H19N3OS3 and molecular weight 425.07 g/mol. IUPAC: 2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanol.
Chemical Property Profile of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol
Property Insights of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol
The XLogP value of 5.2015 indicates that 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol?
The CAS number of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol is 846579-23-5.
What is the molecular formula of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol?
The molecular formula of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol is C21H19N3OS3.
What is the molecular weight of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol?
The molecular weight of 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol is 425.07 g/mol.
Where can I buy 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol?
You can request a quote for 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.