7-O-Demethylisothalicberine
TL;DR: 7-O-Demethylisothalicberine (CAS 73711-14-5) is a chemical compound with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,21R)-10,15-dimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13(35),14,16,23(34),24,26,29(33),30-dodecaene-14,26-diol
Also Known As: 7-O-Demethylisothalicberine, 7-O-demethyliso-thalicberine, O7-Demethylisothalicberine, (1alpha)-6,7'-Dimethoxy-2,2'-dimethylthalicberan-7,12-diol, J2.402.158K
| Molecular Formula | C36H38N2O6 |
|---|---|
| Molecular Weight | 594.27 g/mol |
| LogP | 6.5564 |
| Topological Polar Surface Area | 83.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 594.273 |
| Heavy Atoms | 44 |
| Complexity | 1719.4548 |
Chemical Identifiers
| CAS Number | 73711-14-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC |
Product Overview
7-O-Demethylisothalicberine (CAS 73711-14-5), with molecular formula C36H38N2O6 and molecular weight 594.27 g/mol. IUPAC: (3S,21R)-10,15-dimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13(35),14,16,23(34),24,26,29(33),30-dodecaene-14,26-diol.
Chemical Property Profile of 7-O-Demethylisothalicberine
Property Insights of 7-O-Demethylisothalicberine
The XLogP value of 6.5564 indicates that 7-O-Demethylisothalicberine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-O-Demethylisothalicberine. Following Lipinski's Rule of Five, 7-O-Demethylisothalicberine has 2 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 7-O-Demethylisothalicberine?
The CAS number of 7-O-Demethylisothalicberine is 73711-14-5.
What is the molecular formula of 7-O-Demethylisothalicberine?
The molecular formula of 7-O-Demethylisothalicberine is C36H38N2O6.
What is the molecular weight of 7-O-Demethylisothalicberine?
The molecular weight of 7-O-Demethylisothalicberine is 594.27 g/mol.
Where can I buy 7-O-Demethylisothalicberine?
You can request a quote for 7-O-Demethylisothalicberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-O-Demethylisothalicberine?
Yes, KEHONG BIO provides custom synthesis services for 7-O-Demethylisothalicberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.