Berberine Chloride tetrahydrate
TL;DR: Berberine Chloride tetrahydrate (CAS 68005-98-1) is a chemical compound with molecular formula C20H26ClNO8 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride;tetrahydrate
Also Known As: Berberine Chloride tetrahydrate, 3,3'-Dioctadecyloxacarbocyanine, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, tetrahydrate, 9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride--water (1/1/4)
| Molecular Formula | C20H26ClNO8 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | -3.1985 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.1347 |
| Heavy Atoms | 30 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 68005-98-1 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.O.O.O.[Cl-] |
| InChIKey | LDUJEOSMVBDXMS-UHFFFAOYSA-M |
Product Overview
Berberine Chloride tetrahydrate (CAS 68005-98-1), with molecular formula C20H26ClNO8 and molecular weight 443.13 g/mol. IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride;tetrahydrate.
Chemical Property Profile of Berberine Chloride tetrahydrate
Property Insights of Berberine Chloride tetrahydrate
The XLogP value of -3.1985 indicates that Berberine Chloride tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, Berberine Chloride tetrahydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Berberine Chloride tetrahydrate has 4 hydrogen bond donor(s) and 9 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 Berberine Chloride tetrahydrate?
The CAS number of Berberine Chloride tetrahydrate is 68005-98-1.
What is the molecular formula of Berberine Chloride tetrahydrate?
The molecular formula of Berberine Chloride tetrahydrate is C20H26ClNO8.
What is the molecular weight of Berberine Chloride tetrahydrate?
The molecular weight of Berberine Chloride tetrahydrate is 443.13 g/mol.
Where can I buy Berberine Chloride tetrahydrate?
You can request a quote for Berberine Chloride tetrahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berberine Chloride tetrahydrate?
Yes, KEHONG BIO provides custom synthesis services for Berberine Chloride tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.