![2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline structure](/static/products/889/889945-81-7.png)
2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 889945-81-7) is a chemical compound with molecular formula C17H16BrNO2 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
Also Known As: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, A3855/0163695, 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline, 2-[(6-Bromo-2H-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H16BrNO2 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 3.7361 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.03644 |
| Heavy Atoms | 21 |
| Complexity | 686.4855 |
Chemical Identifiers
| CAS Number | 889945-81-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3Br)OCO4 |
Product Overview
2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 889945-81-7), with molecular formula C17H16BrNO2 and molecular weight 345.04 g/mol. IUPAC: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.7361 indicates that 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline 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 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is 889945-81-7.
What is the molecular formula of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is C17H16BrNO2.
What is the molecular weight of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is 345.04 g/mol.
Where can I buy 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.