1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose
TL;DR: 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose (CAS 14086-92-1) is a chemical compound with molecular formula C21H25NO10 and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,6-triacetyloxy-5-benzamidooxan-2-yl)methyl acetate
Also Known As: 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose, Glucosamine, 1,3,4,6-O-tetraacetyl-N-benzoyl-, 1,3,4,6-Tetra-O-acetyl-2-benzamido-2-deoxyhexopyranose, (3,4,6-triacetyloxy-5-benzamidooxan-2-yl)methyl acetate, 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose #
| Molecular Formula | C21H25NO10 |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 451.14786 |
| Heavy Atoms | 32 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 14086-92-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C |
| InChIKey | YCDLVTWRPTYDJW-UHFFFAOYSA-N |
Product Overview
1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose (CAS 14086-92-1), with molecular formula C21H25NO10 and molecular weight 451.15 g/mol. IUPAC: (3,4,6-triacetyloxy-5-benzamidooxan-2-yl)methyl acetate.
Chemical Property Profile of 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose
Property Insights of 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose. The TPSA of 144.0 Ų indicates high polarity, suggesting 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose has 1 hydrogen bond donor(s) and 10 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 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose?
The CAS number of 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose is 14086-92-1.
What is the molecular formula of 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose?
The molecular formula of 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose is C21H25NO10.
What is the molecular weight of 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose?
The molecular weight of 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose is 451.15 g/mol.
Where can I buy 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose?
You can request a quote for 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,6-Tetra-O-acetyl-2-(benzoylamino)-2-deoxyhexopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.