Adriamycin 14-thioacetate
TL;DR: Adriamycin 14-thioacetate (CAS 101980-73-8) is a chemical compound with molecular formula C36H32F3NO12S and molecular weight 759.1597 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] benzenecarbothioate
Also Known As: Adriamycin 14-thioacetate, 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] benzenecarbothioate, Benzenecarbothioic 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-naphthacentyl)-2-oxoethyl) ester, (2S-cis)-, 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} benzenecarbothioate
Technical Specifications
| Molecular Formula | C36H32F3NO12S |
| Molecular Weight | 759.1597 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 759.1597 Da |
| Heavy Atoms | 53 |
| Complexity | 1430.0 |
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSC(=O)C6=CC=CC=C6)O)NC(=O)C(F)(F)F)O |
| InChIKey | YVBHFKLQBINJGT-UHFFFAOYSA-N |
Product Description
Applications: Adriamycin 14-thioacetate 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).
Adriamycin 14-thioacetate is a fine chemical identified by CAS number 101980-73-8 and the molecular formula C36H32F3NO12S and a molecular weight of 759.16 g/mol. Synonyms include Adriamycin 14-thioacetate and 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] benzenecarbothioate.
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 Adriamycin 14-thioacetate
Property Insights of Adriamycin 14-thioacetate
The XLogP value of 4.9 indicates that Adriamycin 14-thioacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.0 Ų indicates high polarity, suggesting Adriamycin 14-thioacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin 14-thioacetate 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 Adriamycin 14-thioacetate?
The CAS number of Adriamycin 14-thioacetate is 101980-73-8.
What is the molecular formula of Adriamycin 14-thioacetate?
The molecular formula of Adriamycin 14-thioacetate is C36H32F3NO12S.
What is the molecular weight of Adriamycin 14-thioacetate?
The molecular weight of Adriamycin 14-thioacetate is 759.1597 g/mol.
What are the applications of Adriamycin 14-thioacetate?
Adriamycin 14-thioacetate 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,...
Where can I buy Adriamycin 14-thioacetate?
You can request a quote for Adriamycin 14-thioacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Adriamycin 14-thioacetate?
Yes, CoreyChem provides custom synthesis services for Adriamycin 14-thioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.