1,2-Dehydroreticuline
TL;DR: 1,2-Dehydroreticuline (CAS 16202-17-8) is a chemical compound with molecular formula C19H22NO4+ and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol
Also Known As: reticulinylium, 1,2-Dehydroreticuline, tetrahydroreticuline, 1,2-Dehydroreticulinium, 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol
| Molecular Formula | C19H22NO4+ |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.15488 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 16202-17-8 |
|---|---|
| SMILES | C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)CC3=CC(=C(C=C3)OC)O |
| InChIKey | ZALYXKJOOUDZCC-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dehydroreticuline (CAS 16202-17-8), with molecular formula C19H22NO4+ and molecular weight 328.15 g/mol. IUPAC: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol.
Chemical Property Profile of 1,2-Dehydroreticuline
Property Insights of 1,2-Dehydroreticuline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dehydroreticuline. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dehydroreticuline. Following Lipinski's Rule of Five, 1,2-Dehydroreticuline has 2 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 1,2-Dehydroreticuline?
The CAS number of 1,2-Dehydroreticuline is 16202-17-8.
What is the molecular formula of 1,2-Dehydroreticuline?
The molecular formula of 1,2-Dehydroreticuline is C19H22NO4+.
What is the molecular weight of 1,2-Dehydroreticuline?
The molecular weight of 1,2-Dehydroreticuline is 328.15 g/mol.
Where can I buy 1,2-Dehydroreticuline?
You can request a quote for 1,2-Dehydroreticuline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dehydroreticuline?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dehydroreticuline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.