Roseadine
TL;DR: Roseadine (CAS 58005-25-7) is a chemical compound with molecular formula C46H56N4O9 and molecular weight 808.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-acetyloxy-12-ethyl-4-[1-(16-ethyl-16-hydroxy-3,13-diazatetracyclo[11.2.2.02,10.04,9]heptadeca-2(10),4,6,8-tetraen-15-yl)-3-methoxy-3-oxoprop-1-en-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Also Known As: Roseadine, PBCMTHARANTHUS ROSEUS ALKALOID B99752 F198
| Molecular Formula | C46H56N4O9 |
|---|---|
| Molecular Weight | 808.40 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 808.4047 |
| Heavy Atoms | 59 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 58005-25-7 |
|---|---|
| SMILES | CCC1(CN2CCC3=C(C1C(C2)C=C(C4=CC5=C(C=C4OC)N(C6C57CCN8C7C(C=CC8)(C(C6(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)NC9=CC=CC=C39)O |
| InChIKey | JPJKITSCFHYWLR-UHFFFAOYSA-N |
Product Overview
Roseadine (CAS 58005-25-7), with molecular formula C46H56N4O9 and molecular weight 808.40 g/mol. IUPAC: methyl 11-acetyloxy-12-ethyl-4-[1-(16-ethyl-16-hydroxy-3,13-diazatetracyclo[11.2.2.02,10.04,9]heptadeca-2(10),4,6,8-tetraen-15-yl)-3-methoxy-3-oxoprop-1-en-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate.
Chemical Property Profile of Roseadine
Property Insights of Roseadine
The XLogP value of 3.5 indicates that Roseadine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Roseadine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Roseadine has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Roseadine?
The CAS number of Roseadine is 58005-25-7.
What is the molecular formula of Roseadine?
The molecular formula of Roseadine is C46H56N4O9.
What is the molecular weight of Roseadine?
The molecular weight of Roseadine is 808.40 g/mol.
Where can I buy Roseadine?
You can request a quote for Roseadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roseadine?
Yes, KEHONG BIO provides custom synthesis services for Roseadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.