Actinodaphnine
TL;DR: Actinodaphnine (CAS 5462-73-7) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
Also Known As: Actinodaphnine, Actinodaphine, (+)-Actinodaphnine, Actinodaphoine, ACTINODAPHNINE [MI]
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 5462-73-7 |
|---|---|
| SMILES | COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O |
| InChIKey | VYJUHRAQPIBWNV-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Actinodaphnine (CAS 5462-73-7), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol.
Chemical Property Profile of Actinodaphnine
Property Insights of Actinodaphnine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinodaphnine. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Actinodaphnine. Following Lipinski's Rule of Five, Actinodaphnine has 2 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 Actinodaphnine?
The CAS number of Actinodaphnine is 5462-73-7.
What is the molecular formula of Actinodaphnine?
The molecular formula of Actinodaphnine is C18H17NO4.
What is the molecular weight of Actinodaphnine?
The molecular weight of Actinodaphnine is 311.12 g/mol.
Where can I buy Actinodaphnine?
You can request a quote for Actinodaphnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Actinodaphnine?
Yes, KEHONG BIO provides custom synthesis services for Actinodaphnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.