1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (CAS 17459-85-7) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Also Known As: 6,7DHBnTIQ, 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline, 6,7-DHBnTIQ, 1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol, 1-Bn-6,7-diOH-THIQ
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 17459-85-7 |
|---|---|
| SMILES | C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=CC=C3 |
| InChIKey | GGGSEBXTKMTNBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline (CAS 17459-85-7), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 1-benzyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
Chemical Property Profile of 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 52.5 Ų, 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline has 3 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 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline is 17459-85-7.
What is the molecular formula of 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline is C16H17NO2.
What is the molecular weight of 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline is 255.13 g/mol.
Where can I buy 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-Benzyl-6,7-dihydroxy-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 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.