Neo-Oxyberberine
TL;DR: Neo-Oxyberberine (CAS 5058-45-7) is a chemical compound with molecular formula C20H18NO5+ and molecular weight 352.12 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-octaen-21-ol
Also Known As: Neo-Oxyberberine, dimethoxy[?]ol, NEO OXYBERBERINE, NEOOXYBERBERINE, 13-HYDROXYBERBERINE
| Molecular Formula | C20H18NO5+ |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 2.8019 |
| Topological Polar Surface Area | 61.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.1185 |
| Heavy Atoms | 26 |
| Complexity | 1060.2314 |
Chemical Identifiers
| CAS Number | 5058-45-7 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)O)OC |
Product Overview
Neo-Oxyberberine (CAS 5058-45-7), with molecular formula C20H18NO5+ and molecular weight 352.12 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-octaen-21-ol.
Chemical Property Profile of Neo-Oxyberberine
Property Insights of Neo-Oxyberberine
The XLogP value of 2.8019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neo-Oxyberberine. The TPSA of 61.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Neo-Oxyberberine. Following Lipinski's Rule of Five, Neo-Oxyberberine has 1 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 Neo-Oxyberberine?
The CAS number of Neo-Oxyberberine is 5058-45-7.
What is the molecular formula of Neo-Oxyberberine?
The molecular formula of Neo-Oxyberberine is C20H18NO5+.
What is the molecular weight of Neo-Oxyberberine?
The molecular weight of Neo-Oxyberberine is 352.12 g/mol.
Where can I buy Neo-Oxyberberine?
You can request a quote for Neo-Oxyberberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neo-Oxyberberine?
Yes, KEHONG BIO provides custom synthesis services for Neo-Oxyberberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.