Bianfugedine
TL;DR: Bianfugedine (CAS 3587-02-8) is a chemical compound with molecular formula C18H11NO4 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13(18),14,16-octaen-19-one
Also Known As: Bianfugedine, 5,6-Methylenedioxy-9-methoxy-7H-dibenzo(de,h)quinoline-7-one, J3.447.406K, 9-Methoxy-5,6-(methylenedioxy)-7H-dibenzo[de,h]quinoline-7-one, 12H-Benzo(h)(1,3)benzodioxolo(6,5,4-de)quinolin-12-one, 2-methoxy-
| Molecular Formula | C18H11NO4 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.06882 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 3587-02-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=NC=CC4=CC5=C(C(=C43)C2=O)OCO5 |
| InChIKey | BZLSBGPHEXHPAQ-UHFFFAOYSA-N |
Product Overview
Bianfugedine (CAS 3587-02-8), with molecular formula C18H11NO4 and molecular weight 305.07 g/mol. IUPAC: 16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13(18),14,16-octaen-19-one.
Chemical Property Profile of Bianfugedine
Property Insights of Bianfugedine
The XLogP value of 3.1 indicates that Bianfugedine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Bianfugedine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bianfugedine 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 Bianfugedine?
The CAS number of Bianfugedine is 3587-02-8.
What is the molecular formula of Bianfugedine?
The molecular formula of Bianfugedine is C18H11NO4.
What is the molecular weight of Bianfugedine?
The molecular weight of Bianfugedine is 305.07 g/mol.
Where can I buy Bianfugedine?
You can request a quote for Bianfugedine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bianfugedine?
Yes, KEHONG BIO provides custom synthesis services for Bianfugedine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.