Isosinomenine A
TL;DR: Isosinomenine A (CAS 477-57-6) is a chemical compound with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Also Known As: Isotetrandrine, tetrandrine, Isosinomenine A, D-Tetrandrine, Pheanthine
| Molecular Formula | C38H42N2O6 |
|---|---|
| Molecular Weight | 622.30 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 622.30426 |
| Heavy Atoms | 46 |
| Complexity | 979.0 |
| Melting Point | 182 - 183 °C |
Chemical Identifiers
| CAS Number | 477-57-6 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| InChIKey | WVTKBKWTSCPRNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isosinomenine A (CAS 477-57-6), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: 9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene.
Chemical Property Profile of Isosinomenine A
Property Insights of Isosinomenine A
The XLogP value of 6.4 indicates that Isosinomenine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isosinomenine A. Following Lipinski's Rule of Five, Isosinomenine A has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isosinomenine A?
The CAS number of Isosinomenine A is 477-57-6.
What is the molecular formula of Isosinomenine A?
The molecular formula of Isosinomenine A is C38H42N2O6.
What is the molecular weight of Isosinomenine A?
The molecular weight of Isosinomenine A is 622.30 g/mol.
Where can I buy Isosinomenine A?
You can request a quote for Isosinomenine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosinomenine A?
Yes, KEHONG BIO provides custom synthesis services for Isosinomenine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.