![11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/489/489414-54-2.png)
11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 489414-54-2) is a chemical compound with molecular formula C23H29N5S2 and molecular weight 439.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(2-methylpropyl)-6-pentylsulfanyl-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene
Also Known As: 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 11-isobutyl-3-(pentylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C23H29N5S2 |
|---|---|
| Molecular Weight | 439.19 g/mol |
| LogP | 6.2468 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.18643 |
| Heavy Atoms | 30 |
| Complexity | 1207.1884 |
Chemical Identifiers
| CAS Number | 489414-54-2 |
|---|---|
| SMILES | CCCCCSC1=NN=C2N1C=NC3=C2SC4=C3C5=C(CCCC5)C(=N4)CC(C)C |
Product Overview
11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 489414-54-2), with molecular formula C23H29N5S2 and molecular weight 439.19 g/mol. IUPAC: 14-(2-methylpropyl)-6-pentylsulfanyl-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene.
Chemical Property Profile of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 6.2468 indicates that 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 489414-54-2.
What is the molecular formula of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C23H29N5S2.
What is the molecular weight of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 439.19 g/mol.
Where can I buy 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 11-(2-methylpropyl)-3-(pentylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.