小檗鹼
TL;DR: 小檗鹼 (CAS 2086-83-1) is a chemical compound with molecular formula C20H18NO4+ and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
小檗鹼
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
Also Known As: berberine, Umbellatine, Berberin, Berbericine, Umbellatin
| Molecular Formula | C20H18NO4+ |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1236 |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
| Melting Point | 145 |
Chemical Identifiers
| CAS Number | 2086-83-1 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
| InChIKey | YBHILYKTIRIUTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
小檗鹼 (CAS 2086-83-1), with molecular formula C20H18NO4+ and molecular weight 336.12 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-octaene.
Chemical Property Profile of 小檗鹼
Property Insights of 小檗鹼
The XLogP value of 3.6 indicates that 小檗鹼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 小檗鹼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 小檗鹼 has 0 hydrogen bond donor(s) and 4 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 小檗鹼?
The CAS number of 小檗鹼 is 2086-83-1.
What is the molecular formula of 小檗鹼?
The molecular formula of 小檗鹼 is C20H18NO4+.
What is the molecular weight of 小檗鹼?
The molecular weight of 小檗鹼 is 336.12 g/mol.
Where can I buy 小檗鹼?
You can request a quote for 小檗鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 小檗鹼?
Yes, KEHONG BIO provides custom synthesis services for 小檗鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.