Demethyleneberberine chloride
TL;DR: Demethyleneberberine chloride (CAS 16705-03-6) is a chemical compound with molecular formula C19H18ClNO4 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol chloride
Also Known As: Demethyleneberberine, Demethyleneberberine (chloride), Berberine Impurity 8, Dehydrostepholidine chloride, DEMETHYLENEBERBERINE CHLORIDE
| Molecular Formula | C19H18ClNO4 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | -0.2172 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.09244 |
| Heavy Atoms | 25 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 16705-03-6 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)O)OC.[Cl-] |
| InChIKey | CUUPIALXJLKAFN-UHFFFAOYSA-N |
Product Overview
Demethyleneberberine chloride (CAS 16705-03-6), with molecular formula C19H18ClNO4 and molecular weight 359.09 g/mol. IUPAC: 9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol chloride.
Chemical Property Profile of Demethyleneberberine chloride
Property Insights of Demethyleneberberine chloride
The XLogP value of -0.2172 indicates that Demethyleneberberine chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethyleneberberine chloride. Following Lipinski's Rule of Five, Demethyleneberberine chloride has 2 hydrogen bond donor(s) and 5 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 Demethyleneberberine chloride?
The CAS number of Demethyleneberberine chloride is 16705-03-6.
What is the molecular formula of Demethyleneberberine chloride?
The molecular formula of Demethyleneberberine chloride is C19H18ClNO4.
What is the molecular weight of Demethyleneberberine chloride?
The molecular weight of Demethyleneberberine chloride is 359.09 g/mol.
Where can I buy Demethyleneberberine chloride?
You can request a quote for Demethyleneberberine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethyleneberberine chloride?
Yes, KEHONG BIO provides custom synthesis services for Demethyleneberberine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.