N-Trifluoroacetyladriamycin
TL;DR: N-Trifluoroacetyladriamycin (CAS 26295-56-7) is a chemical compound with molecular formula C29H28F3NO12 and molecular weight 639.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
Also Known As: N-Trifluoroacetyladriamycin, N-Trifluoroacetyldoxorubicin, N-Trifluoroacetyl Doxorubicin, N-(Trifluoroacetyl)doxorubicin, AD 41
| Molecular Formula | C29H28F3NO12 |
|---|---|
| Molecular Weight | 639.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 639.1564 |
| Heavy Atoms | 45 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 26295-56-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(F)(F)F)O |
| InChIKey | RQIOYWADAKTIJC-XUKKXQNXSA-N |
Product Overview
N-Trifluoroacetyladriamycin (CAS 26295-56-7), with molecular formula C29H28F3NO12 and molecular weight 639.16 g/mol. IUPAC: 2,2,2-trifluoro-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide.
Chemical Property Profile of N-Trifluoroacetyladriamycin
Property Insights of N-Trifluoroacetyladriamycin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Trifluoroacetyladriamycin. The TPSA of 209.0 Ų indicates high polarity, suggesting N-Trifluoroacetyladriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Trifluoroacetyladriamycin has 6 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-Trifluoroacetyladriamycin?
The CAS number of N-Trifluoroacetyladriamycin is 26295-56-7.
What is the molecular formula of N-Trifluoroacetyladriamycin?
The molecular formula of N-Trifluoroacetyladriamycin is C29H28F3NO12.
What is the molecular weight of N-Trifluoroacetyladriamycin?
The molecular weight of N-Trifluoroacetyladriamycin is 639.16 g/mol.
Where can I buy N-Trifluoroacetyladriamycin?
You can request a quote for N-Trifluoroacetyladriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Trifluoroacetyladriamycin?
Yes, KEHONG BIO provides custom synthesis services for N-Trifluoroacetyladriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.