三叶黄连碱
TL;DR: 三叶黄连碱 (CAS 38691-95-1) is a chemical compound with molecular formula C19H16NO4+ and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三叶黄连碱
16-methoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-17-ol
Also Known As: Groenlandicine, Dehydrocheilanthifoline, Groenlandicine;, Tetrahydricheilanthifolinium, Berberine Impurity 2
| Molecular Formula | C19H16NO4+ |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 2.7933 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.10794 |
| Heavy Atoms | 24 |
| Complexity | 996.5587 |
Chemical Identifiers
| CAS Number | 38691-95-1 |
|---|---|
| SMILES | COC1=C(C=C2CC[N+]3=C(C2=C1)C=C4C=CC5=C(C4=C3)OCO5)O |
Product Overview
三叶黄连碱 (CAS 38691-95-1), with molecular formula C19H16NO4+ and molecular weight 322.11 g/mol. IUPAC: 16-methoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-17-ol.
Chemical Property Profile of 三叶黄连碱
Property Insights of 三叶黄连碱
The XLogP value of 2.7933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三叶黄连碱. With a topological polar surface area (TPSA) of 51.8 Ų, 三叶黄连碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三叶黄连碱 has 1 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 三叶黄连碱?
The CAS number of 三叶黄连碱 is 38691-95-1.
What is the molecular formula of 三叶黄连碱?
The molecular formula of 三叶黄连碱 is C19H16NO4+.
What is the molecular weight of 三叶黄连碱?
The molecular weight of 三叶黄连碱 is 322.11 g/mol.
Where can I buy 三叶黄连碱?
You can request a quote for 三叶黄连碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三叶黄连碱?
Yes, KEHONG BIO provides custom synthesis services for 三叶黄连碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.