Berberine chloride hydrate
TL;DR: Berberine chloride hydrate (CAS 68030-18-2) is a chemical compound with molecular formula C20H20ClNO5 and molecular weight 389.10 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;hydrate
Also Known As: Berberine chloride hydrate, berberine, Natural Yellow 18, Berberine (chloride hydrate), Berberinehydrochloride
| Molecular Formula | C20H20ClNO5 |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | -0.7244 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.103 |
| Heavy Atoms | 27 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 68030-18-2 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.[Cl-] |
| InChIKey | BPNJXFPOPCFZOC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Berberine chloride hydrate (CAS 68030-18-2), with molecular formula C20H20ClNO5 and molecular weight 389.10 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;hydrate.
Chemical Property Profile of Berberine chloride hydrate
Property Insights of Berberine chloride hydrate
The XLogP value of -0.7244 indicates that Berberine chloride hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.8 Ų, Berberine chloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Berberine chloride hydrate has 1 hydrogen bond donor(s) and 6 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 hydrate?
The CAS number of Berberine chloride hydrate is 68030-18-2.
What is the molecular formula of Berberine chloride hydrate?
The molecular formula of Berberine chloride hydrate is C20H20ClNO5.
What is the molecular weight of Berberine chloride hydrate?
The molecular weight of Berberine chloride hydrate is 389.10 g/mol.
Where can I buy Berberine chloride hydrate?
You can request a quote for Berberine chloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berberine chloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for Berberine chloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.