Fetidine
TL;DR: Fetidine (CAS 7072-86-8) is a chemical compound with molecular formula C40H46N2O8 and molecular weight 682.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Also Known As: Fetidine, O1-Demethylthalirevolutine, J2.452.698D, (6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol, (6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxy-phenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1-ol
| Molecular Formula | C40H46N2O8 |
|---|---|
| Molecular Weight | 682.33 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 682.32544 |
| Heavy Atoms | 50 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 7072-86-8 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC |
| InChIKey | IBHSRCBKJMEBQB-VMPREFPWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fetidine (CAS 7072-86-8), with molecular formula C40H46N2O8 and molecular weight 682.33 g/mol. IUPAC: (6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.
Chemical Property Profile of Fetidine
Property Insights of Fetidine
The XLogP value of 6.3 indicates that Fetidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Fetidine. Following Lipinski's Rule of Five, Fetidine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fetidine?
The CAS number of Fetidine is 7072-86-8.
What is the molecular formula of Fetidine?
The molecular formula of Fetidine is C40H46N2O8.
What is the molecular weight of Fetidine?
The molecular weight of Fetidine is 682.33 g/mol.
Where can I buy Fetidine?
You can request a quote for Fetidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fetidine?
Yes, KEHONG BIO provides custom synthesis services for Fetidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.