N-(Trifluoroacetyl)-1-desmethyl Daunorubicin
TL;DR: N-(Trifluoroacetyl)-1-desmethyl Daunorubicin (CAS 68594-06-9) is a chemical compound with molecular formula C28H26F3NO11 and molecular weight 609.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[(3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
Also Known As: N-(Trifluoroacetyl)-1-desmethyl Daunorubicin, N-[6-[(3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
| Molecular Formula | C28H26F3NO11 |
|---|---|
| Molecular Weight | 609.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 609.1458 |
| Heavy Atoms | 43 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 68594-06-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)NC(=O)C(F)(F)F)O |
| InChIKey | ZACGCIJOSAVHQF-UHFFFAOYSA-N |
Product Overview
N-(Trifluoroacetyl)-1-desmethyl Daunorubicin (CAS 68594-06-9), with molecular formula C28H26F3NO11 and molecular weight 609.15 g/mol. IUPAC: N-[6-[(3-acetyl-3,5,10,12-tetrahydroxy-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 N-(Trifluoroacetyl)-1-desmethyl Daunorubicin
Property Insights of N-(Trifluoroacetyl)-1-desmethyl Daunorubicin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Trifluoroacetyl)-1-desmethyl Daunorubicin. The TPSA of 200.0 Ų indicates high polarity, suggesting N-(Trifluoroacetyl)-1-desmethyl Daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Trifluoroacetyl)-1-desmethyl Daunorubicin has 6 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 N-(Trifluoroacetyl)-1-desmethyl Daunorubicin?
The CAS number of N-(Trifluoroacetyl)-1-desmethyl Daunorubicin is 68594-06-9.
What is the molecular formula of N-(Trifluoroacetyl)-1-desmethyl Daunorubicin?
The molecular formula of N-(Trifluoroacetyl)-1-desmethyl Daunorubicin is C28H26F3NO11.
What is the molecular weight of N-(Trifluoroacetyl)-1-desmethyl Daunorubicin?
The molecular weight of N-(Trifluoroacetyl)-1-desmethyl Daunorubicin is 609.15 g/mol.
Where can I buy N-(Trifluoroacetyl)-1-desmethyl Daunorubicin?
You can request a quote for N-(Trifluoroacetyl)-1-desmethyl Daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Trifluoroacetyl)-1-desmethyl Daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-(Trifluoroacetyl)-1-desmethyl Daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.