![11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione structure](/static/products/674/674816-99-0.png)
11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione
TL;DR: 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione (CAS 674816-99-0) is a chemical compound with molecular formula C18H19N5S2 and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-butyl-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,8,13,15(20)-hexaene-6-thione
Also Known As: 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione, 11-butyl-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3-thiol
| Molecular Formula | C18H19N5S2 |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 4.77119 |
| Topological Polar Surface Area | 58.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.1082 |
| Heavy Atoms | 25 |
| Complexity | 1167.3098 |
Chemical Identifiers
| CAS Number | 674816-99-0 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NNC(=S)N5C=N4 |
Product Overview
11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione (CAS 674816-99-0), with molecular formula C18H19N5S2 and molecular weight 369.11 g/mol. IUPAC: 14-butyl-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,8,13,15(20)-hexaene-6-thione.
Chemical Property Profile of 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione
Property Insights of 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione
The XLogP value of 4.77119 indicates that 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.87 Ų, 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione has 1 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 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione?
The CAS number of 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione is 674816-99-0.
What is the molecular formula of 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione?
The molecular formula of 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione is C18H19N5S2.
What is the molecular weight of 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione?
The molecular weight of 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione is 369.11 g/mol.
Where can I buy 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione?
You can request a quote for 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 11-butyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-3(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.