Petaline
TL;DR: Petaline (CAS 7354-32-7) is a chemical compound with molecular formula C20H26NO3+ and molecular weight 328.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
Also Known As: Petaline, (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-8-ol, (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol, (1R)-8-hydroxy-7-methoxy-1-(4-methoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium
| Molecular Formula | C20H26NO3+ |
|---|---|
| Molecular Weight | 328.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.19125 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 7354-32-7 |
|---|---|
| SMILES | C[N+]1(CCC2=C([C@H]1CC3=CC=C(C=C3)OC)C(=C(C=C2)OC)O)C |
| InChIKey | BHQMCLZFWRUADA-QGZVFWFLSA-O |
Product Overview
Petaline (CAS 7354-32-7), with molecular formula C20H26NO3+ and molecular weight 328.19 g/mol. IUPAC: (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol.
Chemical Property Profile of Petaline
Property Insights of Petaline
The XLogP value of 3.4 indicates that Petaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Petaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Petaline has 1 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 Petaline?
The CAS number of Petaline is 7354-32-7.
What is the molecular formula of Petaline?
The molecular formula of Petaline is C20H26NO3+.
What is the molecular weight of Petaline?
The molecular weight of Petaline is 328.19 g/mol.
Where can I buy Petaline?
You can request a quote for Petaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petaline?
Yes, KEHONG BIO provides custom synthesis services for Petaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.