N-(Trifluoroacetyl)adriamycin 14-thiobenzoate
TL;DR: N-(Trifluoroacetyl)adriamycin 14-thiobenzoate (CAS 101980-70-5) is a chemical compound with molecular formula C32H32F3NO12S and molecular weight 711.1597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-oxo-2-[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] propanethioate
Also Known As: N-(Trifluoroacetyl)adriamycin 14-thiobenzoate, Propanethioic acid, S-(2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl) ester, (2S-cis)-, S-[2-oxo-2-[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] propanethioate, S-{2-Oxo-2-[2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl} propanethioate
Technical Specifications
| Molecular Formula | C32H32F3NO12S |
| Molecular Weight | 711.1597 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 711.1597 Da |
| Heavy Atoms | 49 |
| Complexity | 1320.0 |
| SMILES | CCC(=O)SCC(=O)C1(CC(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 | NVULMDQUOVDNAC-UHFFFAOYSA-N |
Product Description
Applications: AC1L41SI is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
AC1L41SI (CAS 101980-70-5) is a fine chemical with the molecular formula C32H32F3NO12S and a molecular weight of 711.16 g/mol. Synonyms include N-(Trifluoroacetyl)adriamycin 14-thiobenzoate and Propanethioic acid, S-(2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl) ester, (2S-cis)-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate
Property Insights of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate
The XLogP value of 3.7 indicates that N-(Trifluoroacetyl)adriamycin 14-thiobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.0 Ų indicates high polarity, suggesting N-(Trifluoroacetyl)adriamycin 14-thiobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Trifluoroacetyl)adriamycin 14-thiobenzoate has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate?
The CAS number of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate is 101980-70-5.
What is the molecular formula of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate?
The molecular formula of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate is C32H32F3NO12S.
What is the molecular weight of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate?
The molecular weight of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate is 711.1597 g/mol.
What are the applications of N-(Trifluoroacetyl)adriamycin 14-thiobenzoate?
AC1L41SI is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy N-(Trifluoroacetyl)adriamycin 14-thiobenzoate?
You can request a quote for N-(Trifluoroacetyl)adriamycin 14-thiobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(Trifluoroacetyl)adriamycin 14-thiobenzoate?
Yes, CoreyChem provides custom synthesis services for N-(Trifluoroacetyl)adriamycin 14-thiobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.