Trifluoroacetyladriamycin-14-octanoate
TL;DR: Trifluoroacetyladriamycin-14-octanoate (CAS 73121-99-0) is a chemical compound with molecular formula C37H42F3NO13 and molecular weight 765.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] octanoate
Also Known As: TFAAO, Trifluoroacetyladriamycin-14-octanoate, 2-Chloro-4-amino-6-cyanopyrimidine, [2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] octanoate, 2-oxo-2-[2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl octanoate
| Molecular Formula | C37H42F3NO13 |
|---|---|
| Molecular Weight | 765.26 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 765.2608 |
| Heavy Atoms | 54 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 73121-99-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O |
| InChIKey | GBATUGVYYXYNAD-UHFFFAOYSA-N |
Product Overview
Trifluoroacetyladriamycin-14-octanoate (CAS 73121-99-0), with molecular formula C37H42F3NO13 and molecular weight 765.26 g/mol. IUPAC: [2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] octanoate.
Chemical Property Profile of Trifluoroacetyladriamycin-14-octanoate
Property Insights of Trifluoroacetyladriamycin-14-octanoate
The XLogP value of 5.7 indicates that Trifluoroacetyladriamycin-14-octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 215.0 Ų indicates high polarity, suggesting Trifluoroacetyladriamycin-14-octanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trifluoroacetyladriamycin-14-octanoate has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trifluoroacetyladriamycin-14-octanoate?
The CAS number of Trifluoroacetyladriamycin-14-octanoate is 73121-99-0.
What is the molecular formula of Trifluoroacetyladriamycin-14-octanoate?
The molecular formula of Trifluoroacetyladriamycin-14-octanoate is C37H42F3NO13.
What is the molecular weight of Trifluoroacetyladriamycin-14-octanoate?
The molecular weight of Trifluoroacetyladriamycin-14-octanoate is 765.26 g/mol.
Where can I buy Trifluoroacetyladriamycin-14-octanoate?
You can request a quote for Trifluoroacetyladriamycin-14-octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetyladriamycin-14-octanoate?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetyladriamycin-14-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.