碘化小檗碱
TL;DR: 碘化小檗碱 (CAS 4263-84-7) is a chemical compound with molecular formula C20H18INO4 and molecular weight 463.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘化小檗碱
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 iodide
Also Known As: Berberine iodide, Berberine, iodide, O(C)c1c(OC)ccc2cc3n(CCc4cc5OCOc5cc34)cc12, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, iodide, 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; iodide
| Molecular Formula | C20H18INO4 |
|---|---|
| Molecular Weight | 463.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 463.02805 |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 4263-84-7 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[I-] |
| InChIKey | COKBTDHQMKTDCJ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘化小檗碱 (CAS 4263-84-7), with molecular formula C20H18INO4 and molecular weight 463.03 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 iodide.
Chemical Property Profile of 碘化小檗碱
Property Insights of 碘化小檗碱
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘化小檗碱. With a topological polar surface area (TPSA) of 40.8 Ų, 碘化小檗碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘化小檗碱 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 碘化小檗碱?
The CAS number of 碘化小檗碱 is 4263-84-7.
What is the molecular formula of 碘化小檗碱?
The molecular formula of 碘化小檗碱 is C20H18INO4.
What is the molecular weight of 碘化小檗碱?
The molecular weight of 碘化小檗碱 is 463.03 g/mol.
Where can I buy 碘化小檗碱?
You can request a quote for 碘化小檗碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘化小檗碱?
Yes, KEHONG BIO provides custom synthesis services for 碘化小檗碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.