黄连碱
TL;DR: 黄连碱 (CAS 3486-66-6) is a chemical compound with molecular formula C19H14NO4+ and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黄连碱
5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene
Also Known As: Coptisine, Coptisine sulfate, Coptisin, coptisinium, P-bromophenylurea
| Molecular Formula | C19H14NO4+ |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.0923 |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 3486-66-6 |
|---|---|
| SMILES | C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6 |
| InChIKey | XYHOBCMEDLZUMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
黄连碱 (CAS 3486-66-6), with molecular formula C19H14NO4+ and molecular weight 320.09 g/mol. IUPAC: 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene.
Chemical Property Profile of 黄连碱
Property Insights of 黄连碱
The XLogP value of 3.5 indicates that 黄连碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 黄连碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 黄连碱 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 黄连碱?
The CAS number of 黄连碱 is 3486-66-6.
What is the molecular formula of 黄连碱?
The molecular formula of 黄连碱 is C19H14NO4+.
What is the molecular weight of 黄连碱?
The molecular weight of 黄连碱 is 320.09 g/mol.
Where can I buy 黄连碱?
You can request a quote for 黄连碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黄连碱?
Yes, KEHONG BIO provides custom synthesis services for 黄连碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.