Oxyberberine
TL;DR: Oxyberberine (CAS 549-21-3) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 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-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
Also Known As: Oxyberberine, Berlambine, 8-Oxyberberine, Oxyberberin, Ketoberberine
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 549-21-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)OC |
| InChIKey | ZHYQCBCBTQWPLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxyberberine (CAS 549-21-3), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one.
Chemical Property Profile of Oxyberberine
Property Insights of Oxyberberine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyberberine. With a topological polar surface area (TPSA) of 57.2 Ų, Oxyberberine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxyberberine has 0 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 Oxyberberine?
The CAS number of Oxyberberine is 549-21-3.
What is the molecular formula of Oxyberberine?
The molecular formula of Oxyberberine is C20H17NO5.
What is the molecular weight of Oxyberberine?
The molecular weight of Oxyberberine is 351.11 g/mol.
Where can I buy Oxyberberine?
You can request a quote for Oxyberberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyberberine?
Yes, KEHONG BIO provides custom synthesis services for Oxyberberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.