1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline (CAS 60816-66-2) 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.
4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzene-1,2-diol
Also Known As: 3 4 DHBnTIQ, 3 ,4 DHBnTIQ, 3 ,4 -DHBnTIQ, 3 ,4 Dihydroxy1benzyltetrahydroisoquinoline, 4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzene-1,2-diol
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.5273 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 595.05286 |
Chemical Identifiers
| CAS Number | 60816-66-2 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)CC3=CC(=C(C=C3)O)O |
Product Overview
1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline (CAS 60816-66-2), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzene-1,2-diol.
Chemical Property Profile of 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.5273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 52.49 Ų, 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3',4'-Dihydroxybenzyl)-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-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline is 60816-66-2.
What is the molecular formula of 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline is C16H17NO2.
What is the molecular weight of 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline is 255.13 g/mol.
Where can I buy 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-(3',4'-Dihydroxybenzyl)-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-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(3',4'-Dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.