N-Trifluoroacetyladriamycinol
TL;DR: N-Trifluoroacetyladriamycinol (CAS 66512-17-2) is a chemical compound with molecular formula C29H30F3NO12 and molecular weight 641.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[[3-(1,2-dihydroxyethyl)-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: N-Trifluoroacetyladriamycinol, AD 92, N-[6-[[3-(1,2-dihydroxyethyl)-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, 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetra, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(1,2-dihydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-2-(trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-
| Molecular Formula | C29H30F3NO12 |
|---|---|
| Molecular Weight | 641.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 641.172 |
| Heavy Atoms | 45 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 66512-17-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)NC(=O)C(F)(F)F)O |
| InChIKey | TWMWXCYMYAQOTO-UHFFFAOYSA-N |
Product Overview
N-Trifluoroacetyladriamycinol (CAS 66512-17-2), with molecular formula C29H30F3NO12 and molecular weight 641.17 g/mol. IUPAC: N-[6-[[3-(1,2-dihydroxyethyl)-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 N-Trifluoroacetyladriamycinol
Property Insights of N-Trifluoroacetyladriamycinol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Trifluoroacetyladriamycinol. The TPSA of 212.0 Ų indicates high polarity, suggesting N-Trifluoroacetyladriamycinol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Trifluoroacetyladriamycinol has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Trifluoroacetyladriamycinol?
The CAS number of N-Trifluoroacetyladriamycinol is 66512-17-2.
What is the molecular formula of N-Trifluoroacetyladriamycinol?
The molecular formula of N-Trifluoroacetyladriamycinol is C29H30F3NO12.
What is the molecular weight of N-Trifluoroacetyladriamycinol?
The molecular weight of N-Trifluoroacetyladriamycinol is 641.17 g/mol.
Where can I buy N-Trifluoroacetyladriamycinol?
You can request a quote for N-Trifluoroacetyladriamycinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Trifluoroacetyladriamycinol?
Yes, KEHONG BIO provides custom synthesis services for N-Trifluoroacetyladriamycinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.