N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin
TL;DR: N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin (CAS 83291-70-7) is a chemical compound with molecular formula C41H52F3NO11S and molecular weight 823.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[[3-(2-dodecylsulfanylacetyl)-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-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin, Methanesulfonamide,1,1,1-trifluoro-N-hydroxy, N-[6-[[3-(2-dodecylsulfanylacetyl)-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, 3-[(Dodecylsulfanyl)acetyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranoside, 5,12-Naphthacenedione, 8-((dodecylthio)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
| Molecular Formula | C41H52F3NO11S |
|---|---|
| Molecular Weight | 823.32 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 823.3213 |
| Heavy Atoms | 57 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 83291-70-7 |
|---|---|
| SMILES | CCCCCCCCCCCCSCC(=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 | IAJYOYSKGCFTOX-UHFFFAOYSA-N |
Product Overview
N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin (CAS 83291-70-7), with molecular formula C41H52F3NO11S and molecular weight 823.32 g/mol. IUPAC: N-[6-[[3-(2-dodecylsulfanylacetyl)-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-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin
Property Insights of N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin
The XLogP value of 9.0 indicates that N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin has 5 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-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin?
The CAS number of N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin is 83291-70-7.
What is the molecular formula of N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin?
The molecular formula of N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin is C41H52F3NO11S.
What is the molecular weight of N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin?
The molecular weight of N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin is 823.32 g/mol.
Where can I buy N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin?
You can request a quote for N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin?
Yes, KEHONG BIO provides custom synthesis services for N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.