1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
TL;DR: 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium (CAS 51452-52-9) is a chemical compound with molecular formula C14H22NO3+ and molecular weight 252.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propan-1-ol
Also Known As: 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium, (1S)-1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium, 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propan-1-ol
| Molecular Formula | C14H22NO3+ |
|---|---|
| Molecular Weight | 252.16 g/mol |
| LogP | 0.6369 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.15997 |
| Heavy Atoms | 18 |
| Complexity | 406.27072 |
Chemical Identifiers
| CAS Number | 51452-52-9 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)CCCO)OC |
Product Overview
1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium (CAS 51452-52-9), with molecular formula C14H22NO3+ and molecular weight 252.16 g/mol. IUPAC: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]propan-1-ol.
Chemical Property Profile of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
Property Insights of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
The XLogP value of 0.6369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium. With a topological polar surface area (TPSA) of 55.3 Ų, 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium has 2 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-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
The CAS number of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium is 51452-52-9.
What is the molecular formula of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
The molecular formula of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium is C14H22NO3+.
What is the molecular weight of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
The molecular weight of 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium is 252.16 g/mol.
Where can I buy 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
You can request a quote for 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.