Daphnoline
TL;DR: Daphnoline (CAS 479-36-7) is a chemical compound with molecular formula C35H36N2O6 and molecular weight 580.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
Also Known As: Daphnoline, Trilobamin, Trilobamine, (+)-Daphnoline, Daphnoline [MI]
| Molecular Formula | C35H36N2O6 |
|---|---|
| Molecular Weight | 580.26 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 580.2573 |
| Heavy Atoms | 43 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 479-36-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC |
| InChIKey | AKGWXHYTRBFUAD-SXOMAYOGSA-N |
Product Overview
Daphnoline (CAS 479-36-7), with molecular formula C35H36N2O6 and molecular weight 580.26 g/mol. IUPAC: (1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol.
Chemical Property Profile of Daphnoline
Property Insights of Daphnoline
The XLogP value of 5.5 indicates that Daphnoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Daphnoline. Following Lipinski's Rule of Five, Daphnoline has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daphnoline?
The CAS number of Daphnoline is 479-36-7.
What is the molecular formula of Daphnoline?
The molecular formula of Daphnoline is C35H36N2O6.
What is the molecular weight of Daphnoline?
The molecular weight of Daphnoline is 580.26 g/mol.
Where can I buy Daphnoline?
You can request a quote for Daphnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphnoline?
Yes, KEHONG BIO provides custom synthesis services for Daphnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.