![3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline structure](/static/products/331/331244-70-3.png)
3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
TL;DR: 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline (CAS 331244-70-3) is a chemical compound with molecular formula C16H14BrN3O and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromofuran-2-yl)-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: BAS 00345114, AB01330276-02, 3-(5-bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline, 3-(5-bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline, 3-(5-bromofuran-2-yl)-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
| Molecular Formula | C16H14BrN3O |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 4.2588 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.032 |
| Heavy Atoms | 21 |
| Complexity | 831.6721 |
Chemical Identifiers
| CAS Number | 331244-70-3 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=C(O4)Br)C |
Product Overview
3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline (CAS 331244-70-3), with molecular formula C16H14BrN3O and molecular weight 343.03 g/mol. IUPAC: 3-(5-bromofuran-2-yl)-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Property Insights of 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
The XLogP value of 4.2588 indicates that 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[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 43.85 Ų, 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[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 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline?
The CAS number of 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline is 331244-70-3.
What is the molecular formula of 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular formula of 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline is C16H14BrN3O.
What is the molecular weight of 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular weight of 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline is 343.03 g/mol.
Where can I buy 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline?
You can request a quote for 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[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 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.