Petaline
TL;DR: Petaline (CAS 64057-59-6) is a chemical compound with molecular formula C20H26ClNO3 and molecular weight 363.16 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 chloride
Also Known As: Petaline, Petaline chloride, KST-1A7192, CARBONOTRITHIOIC ACID,2-PROPENYLTRICHLOROMETHYL ESTER, (1r)-8-hydroxy-7-methoxy-1-(4-methoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium chloride
| Molecular Formula | C20H26ClNO3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 0.3297 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.16013 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 64057-59-6 |
|---|---|
| SMILES | C[N+]1(CCC2=C([C@H]1CC3=CC=C(C=C3)OC)C(=C(C=C2)OC)O)C.[Cl-] |
| InChIKey | VUACHFWYFDCGJF-UNTBIKODSA-N |
Product Overview
Petaline (CAS 64057-59-6), with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol. IUPAC: (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol chloride.
Chemical Property Profile of Petaline
Property Insights of Petaline
The XLogP value of 0.3297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Petaline. 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 4 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 64057-59-6.
What is the molecular formula of Petaline?
The molecular formula of Petaline is C20H26ClNO3.
What is the molecular weight of Petaline?
The molecular weight of Petaline is 363.16 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.