Isotetrandrine, (+)-
TL;DR: Isotetrandrine, (+)- (CAS 5956-77-4) 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.
(1S,14R)-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, Isosinomenin A, Isosinomenine A, O-Methylberbamine, (R,S)-Tetrandrine
| 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 |
Chemical Identifiers
| CAS Number | 5956-77-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| InChIKey | WVTKBKWTSCPRNU-XZWHSSHBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isotetrandrine, (+)- (CAS 5956-77-4), with molecular formula C38H42N2O6 and molecular weight 622.30 g/mol. IUPAC: (1S,14R)-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 Isotetrandrine, (+)-
Property Insights of Isotetrandrine, (+)-
The XLogP value of 6.4 indicates that Isotetrandrine, (+)- 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 Isotetrandrine, (+)-. Following Lipinski's Rule of Five, Isotetrandrine, (+)- 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 Isotetrandrine, (+)-?
The CAS number of Isotetrandrine, (+)- is 5956-77-4.
What is the molecular formula of Isotetrandrine, (+)-?
The molecular formula of Isotetrandrine, (+)- is C38H42N2O6.
What is the molecular weight of Isotetrandrine, (+)-?
The molecular weight of Isotetrandrine, (+)- is 622.30 g/mol.
Where can I buy Isotetrandrine, (+)-?
You can request a quote for Isotetrandrine, (+)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotetrandrine, (+)-?
Yes, KEHONG BIO provides custom synthesis services for Isotetrandrine, (+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.