N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin
TL;DR: N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin (CAS 77270-20-3) is a chemical compound with molecular formula C35H32F3NO11S and molecular weight 731.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
Also Known As: N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-, 7,8,9,10-Tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-cis)-, 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide, 3,5,12-Trihydroxy-10-methoxy-6,11-dioxo-3-[(phenylsulfanyl)acetyl]-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranoside
| Molecular Formula | C35H32F3NO11S |
|---|---|
| Molecular Weight | 731.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 731.1648 |
| Heavy Atoms | 51 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 77270-20-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSC6=CC=CC=C6)O)NC(=O)C(F)(F)F)O |
| InChIKey | YUJYIUQYCLUSIO-UHFFFAOYSA-N |
Product Overview
N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin (CAS 77270-20-3), with molecular formula C35H32F3NO11S and molecular weight 731.16 g/mol. IUPAC: 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide.
Chemical Property Profile of N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin
Property Insights of N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin
The XLogP value of 5.0 indicates that N-(Trifloroacetyl)-14-phenyl-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-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(Trifloroacetyl)-14-phenyl-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-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin?
The CAS number of N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin is 77270-20-3.
What is the molecular formula of N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin?
The molecular formula of N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin is C35H32F3NO11S.
What is the molecular weight of N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin?
The molecular weight of N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin is 731.16 g/mol.
Where can I buy N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin?
You can request a quote for N-(Trifloroacetyl)-14-phenyl-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-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin?
Yes, KEHONG BIO provides custom synthesis services for N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.