2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose
TL;DR: 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose (CAS 1512-83-0) is a chemical compound with molecular formula C14H20FNO8 and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-fluorooxan-2-yl]methyl acetate
Also Known As: 4-F-Glcnac, 2-(Acetylamino)-2,4-dideoxy-4-fluoro-alpha-D-glucopyranose 1,3,6-triacetate, J1.355.153G, [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-fluorooxan-2-yl]methyl acetate, 2-Acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose
| Molecular Formula | C14H20FNO8 |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.1173 |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 1512-83-0 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)F)OC(=O)C |
| InChIKey | AUCRVLBGFFSCPW-POQQGIQPSA-N |
Product Overview
2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose (CAS 1512-83-0), with molecular formula C14H20FNO8 and molecular weight 349.12 g/mol. IUPAC: [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-fluorooxan-2-yl]methyl acetate.
Chemical Property Profile of 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose
Property Insights of 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose
The XLogP value of -0.4 indicates that 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose. Following Lipinski's Rule of Five, 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose has 1 hydrogen bond donor(s) and 9 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 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose?
The CAS number of 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose is 1512-83-0.
What is the molecular formula of 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose?
The molecular formula of 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose is C14H20FNO8.
What is the molecular weight of 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose?
The molecular weight of 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose is 349.12 g/mol.
Where can I buy 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose?
You can request a quote for 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose?
Yes, KEHONG BIO provides custom synthesis services for 2-acetamido-1,3,6-tri-O-acetyl-4-deoxy-4-fluoroglucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.