Trifluoroacetyladriamycin-14-valerate
TL;DR: Trifluoroacetyladriamycin-14-valerate (CAS 56124-62-0) is a chemical compound with molecular formula C34H36F3NO13 and molecular weight 723.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[(2S,4S)-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] pentanoate
Also Known As: Valrubicin, Valstar, Antibiotic AD 32, Valtaxin, Valrubicin [USAN]
| Molecular Formula | C34H36F3NO13 |
|---|---|
| Molecular Weight | 723.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 723.21387 |
| Heavy Atoms | 51 |
| Complexity | 1350.0 |
| Melting Point | 116 - 117 °C |
| Solubility | 3.25e-02 g/L |
Chemical Identifiers
| CAS Number | 56124-62-0 |
|---|---|
| SMILES | CCCCC(=O)OCC(=O)[C@]1(C[C@@H](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 | ZOCKGBMQLCSHFP-ZQUOIQDWSA-N |
Product Overview
Trifluoroacetyladriamycin-14-valerate (CAS 56124-62-0), with molecular formula C34H36F3NO13 and molecular weight 723.21 g/mol. IUPAC: [2-oxo-2-[(2S,4S)-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] pentanoate.
Chemical Property Profile of Trifluoroacetyladriamycin-14-valerate
Property Insights of Trifluoroacetyladriamycin-14-valerate
The XLogP value of 4.0 indicates that Trifluoroacetyladriamycin-14-valerate 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-valerate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trifluoroacetyladriamycin-14-valerate 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-valerate?
The CAS number of Trifluoroacetyladriamycin-14-valerate is 56124-62-0.
What is the molecular formula of Trifluoroacetyladriamycin-14-valerate?
The molecular formula of Trifluoroacetyladriamycin-14-valerate is C34H36F3NO13.
What is the molecular weight of Trifluoroacetyladriamycin-14-valerate?
The molecular weight of Trifluoroacetyladriamycin-14-valerate is 723.21 g/mol.
Where can I buy Trifluoroacetyladriamycin-14-valerate?
You can request a quote for Trifluoroacetyladriamycin-14-valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetyladriamycin-14-valerate?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetyladriamycin-14-valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.