![5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline structure](/static/products/3139/313963-05-2.webp)
5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
TL;DR: 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline (CAS 313963-05-2) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: BAS 00329381, BIM-0015728.P001, AB01223828-02, 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline, A1904/0079984
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 313963-05-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CS4)C |
| InChIKey | SGHVNADXQPDNSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline (CAS 313963-05-2), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Property Insights of 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
The XLogP value of 3.0 indicates that 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline has 0 hydrogen bond donor(s) and 3 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 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The CAS number of 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is 313963-05-2.
What is the molecular formula of 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular formula of 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is C16H15N3S.
What is the molecular weight of 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular weight of 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline is 281.10 g/mol.
Where can I buy 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
You can request a quote for 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5,5-dimethyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.