Trifluoroacetyldaunomycin
TL;DR: Trifluoroacetyldaunomycin (CAS 26388-52-3) is a chemical compound with molecular formula C29H28F3NO11 and molecular weight 623.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
Also Known As: Trifluoroacetyldaunomycin, Epirubicin Impurity 10, EINECS 261-015-8, N-(Trifluoroacetyl)daunorubicin, N-trifluoroacetyl-4'-epirubicin
| Molecular Formula | C29H28F3NO11 |
|---|---|
| Molecular Weight | 623.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 623.16144 |
| Heavy Atoms | 44 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 26388-52-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)C(F)(F)F)O |
| InChIKey | VOASREXNXKOKBP-UHFFFAOYSA-N |
Product Overview
Trifluoroacetyldaunomycin (CAS 26388-52-3), with molecular formula C29H28F3NO11 and molecular weight 623.16 g/mol. IUPAC: N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of Trifluoroacetyldaunomycin
Property Insights of Trifluoroacetyldaunomycin
The XLogP value of 3.2 indicates that Trifluoroacetyldaunomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Trifluoroacetyldaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trifluoroacetyldaunomycin has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trifluoroacetyldaunomycin?
The CAS number of Trifluoroacetyldaunomycin is 26388-52-3.
What is the molecular formula of Trifluoroacetyldaunomycin?
The molecular formula of Trifluoroacetyldaunomycin is C29H28F3NO11.
What is the molecular weight of Trifluoroacetyldaunomycin?
The molecular weight of Trifluoroacetyldaunomycin is 623.16 g/mol.
Where can I buy Trifluoroacetyldaunomycin?
You can request a quote for Trifluoroacetyldaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetyldaunomycin?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetyldaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.