Atherospermidine
TL;DR: Atherospermidine (CAS 3912-57-0) 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.
7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
Also Known As: Atherospermidine, Antherospermidine, Liriodenine, 3-methoxy-, Noraporphin-7-one, 4,5,6,6a-tetradehydro-3-methoxy-1,2-(methylenedioxy)-, 4-Methoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one
| Molecular Formula | C18H11NO4 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 3.4 |
| 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 | 3912-57-0 |
|---|---|
| SMILES | COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)OCO2 |
| InChIKey | MDFFNDBAEOHIDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Atherospermidine (CAS 3912-57-0), with molecular formula C18H11NO4 and molecular weight 305.07 g/mol. IUPAC: 7-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one.
Chemical Property Profile of Atherospermidine
Property Insights of Atherospermidine
The XLogP value of 3.4 indicates that Atherospermidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Atherospermidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atherospermidine 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 Atherospermidine?
The CAS number of Atherospermidine is 3912-57-0.
What is the molecular formula of Atherospermidine?
The molecular formula of Atherospermidine is C18H11NO4.
What is the molecular weight of Atherospermidine?
The molecular weight of Atherospermidine is 305.07 g/mol.
Where can I buy Atherospermidine?
You can request a quote for Atherospermidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atherospermidine?
Yes, KEHONG BIO provides custom synthesis services for Atherospermidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.