4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol
TL;DR: 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol (CAS 955-15-7) is a chemical compound with molecular formula C10H12F3NO4 and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4S)-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-3-yl] acetate
Also Known As: AATTH, [(2S,3S,4S)-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-3-yl] acetate, 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol, 3-o-acetyl-2,6-anhydro-1,4,5-trideoxy-4-[(trifluoroacetyl)amino]-l-arabino-hex-5-enitol, 3-trifluoroacetamido-4-O-acetyl-1,2,3,6-tetradeoxy-L-lyxo-hex-1-enepyranose
| Molecular Formula | C10H12F3NO4 |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07184 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 955-15-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C=CO1)NC(=O)C(F)(F)F)OC(=O)C |
| InChIKey | ZSLJXQOTJWQETR-APQOSEDMSA-N |
Product Overview
4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol (CAS 955-15-7), with molecular formula C10H12F3NO4 and molecular weight 267.07 g/mol. IUPAC: [(2S,3S,4S)-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-3-yl] acetate.
Chemical Property Profile of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol
Property Insights of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol. Following Lipinski's Rule of Five, 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol?
The CAS number of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol is 955-15-7.
What is the molecular formula of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol?
The molecular formula of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol is C10H12F3NO4.
What is the molecular weight of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol?
The molecular weight of 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol is 267.07 g/mol.
Where can I buy 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol?
You can request a quote for 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Acetyl-1,5-anhydro-2,3,6-trideoxy-3-trifluoroacetamidohex-1-enitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.