Bruceolline A
TL;DR: Bruceolline A (CAS 19692-03-6) is a chemical compound with molecular formula C26H28N2O12 and molecular weight 560.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Also Known As: Bruceolline A, (-)-Bruceolline A, 11-O-Glucopyranosyl-1-6-glucopyranosylcanthin-6-one, 11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one, 6h-indolo(3,2,1-de)(1,5)naphthyridin-6-one, 11-((6-o-
| Molecular Formula | C26H28N2O12 |
|---|---|
| Molecular Weight | 560.16 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 560.16425 |
| Heavy Atoms | 40 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 19692-03-6 |
|---|---|
| SMILES | C1=CC2=C(C3=C4N2C(=O)C=CC4=NC=C3)C(=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O |
| InChIKey | VPNZWBQNGLKMGR-IWDCVFEHSA-N |
Product Overview
Bruceolline A (CAS 19692-03-6), with molecular formula C26H28N2O12 and molecular weight 560.16 g/mol. IUPAC: 11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one.
Chemical Property Profile of Bruceolline A
Property Insights of Bruceolline A
The XLogP value of -1.9 indicates that Bruceolline A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting Bruceolline A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bruceolline A has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bruceolline A?
The CAS number of Bruceolline A is 19692-03-6.
What is the molecular formula of Bruceolline A?
The molecular formula of Bruceolline A is C26H28N2O12.
What is the molecular weight of Bruceolline A?
The molecular weight of Bruceolline A is 560.16 g/mol.
Where can I buy Bruceolline A?
You can request a quote for Bruceolline A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bruceolline A?
Yes, KEHONG BIO provides custom synthesis services for Bruceolline A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.