14-O-Palmitoylhydroxyrubicin
TL;DR: 14-O-Palmitoylhydroxyrubicin (CAS 124622-11-3) is a chemical compound with molecular formula C43H58O13 and molecular weight 782.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2S,4S)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] hexadecanoate
Also Known As: 14-O-Palmitoylhydroxyrubicin, [2-[(2S,4S)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] hexadecanoate, Hexadecanoic acid, 2-(4-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-, 2-{(2S,4S)-4-[(2,6-Dideoxy-beta-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl hexadecanoate, RefChem:78693
| Molecular Formula | C43H58O13 |
|---|---|
| Molecular Weight | 782.39 g/mol |
| LogP | 6.0671 |
| Topological Polar Surface Area | 206.35 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 20 |
| Exact Mass | 782.38776 |
| Heavy Atoms | 56 |
| Complexity | 1724.6199 |
Chemical Identifiers
| CAS Number | 124622-11-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)O)O |
Product Overview
14-O-Palmitoylhydroxyrubicin (CAS 124622-11-3), with molecular formula C43H58O13 and molecular weight 782.39 g/mol. IUPAC: [2-[(2S,4S)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] hexadecanoate.
Chemical Property Profile of 14-O-Palmitoylhydroxyrubicin
Property Insights of 14-O-Palmitoylhydroxyrubicin
The XLogP value of 6.0671 indicates that 14-O-Palmitoylhydroxyrubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.35 Ų indicates high polarity, suggesting 14-O-Palmitoylhydroxyrubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-O-Palmitoylhydroxyrubicin has 5 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 14-O-Palmitoylhydroxyrubicin?
The CAS number of 14-O-Palmitoylhydroxyrubicin is 124622-11-3.
What is the molecular formula of 14-O-Palmitoylhydroxyrubicin?
The molecular formula of 14-O-Palmitoylhydroxyrubicin is C43H58O13.
What is the molecular weight of 14-O-Palmitoylhydroxyrubicin?
The molecular weight of 14-O-Palmitoylhydroxyrubicin is 782.39 g/mol.
Where can I buy 14-O-Palmitoylhydroxyrubicin?
You can request a quote for 14-O-Palmitoylhydroxyrubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-O-Palmitoylhydroxyrubicin?
Yes, KEHONG BIO provides custom synthesis services for 14-O-Palmitoylhydroxyrubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.