![2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione structure](/static/products/900/900281-53-0.png)
2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione
TL;DR: 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione (CAS 900281-53-0) is a chemical compound with molecular formula C23H21N5O2S2 and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methylsulfanyl-1-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)propyl]isoindole-1,3-dione
Also Known As: 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione, 2-[3-(methylsulfanyl)-1-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C23H21N5O2S2 |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | 4.3082 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.11368 |
| Heavy Atoms | 32 |
| Complexity | 1357.0653 |
Chemical Identifiers
| CAS Number | 900281-53-0 |
|---|---|
| SMILES | CSCCC(C1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCC4)N5C(=O)C6=CC=CC=C6C5=O |
Product Overview
2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione (CAS 900281-53-0), with molecular formula C23H21N5O2S2 and molecular weight 463.11 g/mol. IUPAC: 2-[3-methylsulfanyl-1-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)propyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione
Property Insights of 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione
The XLogP value of 4.3082 indicates that 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione has 0 hydrogen bond donor(s) and 7 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-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione?
The CAS number of 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione is 900281-53-0.
What is the molecular formula of 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione?
The molecular formula of 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione is C23H21N5O2S2.
What is the molecular weight of 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione?
The molecular weight of 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione is 463.11 g/mol.
Where can I buy 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione?
You can request a quote for 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(methylthio)-1-(8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.