Tetraacetyl A 33853
TL;DR: Tetraacetyl A 33853 (CAS 80161-47-3) is a chemical compound with molecular formula C26H19N3O9 and molecular weight 517.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[acetyl-(3-acetyloxypyridine-2-carbonyl)amino]-3-acetyloxyphenyl]-1,3-benzoxazole-4-carboxylic acid
Also Known As: Tetraacetyl A 33853, Tetraacetyl A-33853, Tetraacetyl A33853, 2-[2-[acetyl-(3-acetyloxypyridine-2-carbonyl)amino]-3-acetyloxyphenyl]-1,3-benzoxazole-4-carboxylic acid, 4-Benzoxazolecarboxylic acid, 2-(2-(acetyl((3-(acetyloxy)-2-pyridinyl)carbonyl)amino)-3-(acetyloxy)phenyl)-, (1'alpha)-
| Molecular Formula | C26H19N3O9 |
|---|---|
| Molecular Weight | 517.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.1121 |
| Heavy Atoms | 38 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 80161-47-3 |
|---|---|
| SMILES | CC(=O)N(C1=C(C=CC=C1OC(=O)C)C2=NC3=C(C=CC=C3O2)C(=O)O)C(=O)C4=C(C=CC=N4)OC(=O)C |
| InChIKey | PXKYRQQHPXUQGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetraacetyl A 33853 (CAS 80161-47-3), with molecular formula C26H19N3O9 and molecular weight 517.11 g/mol. IUPAC: 2-[2-[acetyl-(3-acetyloxypyridine-2-carbonyl)amino]-3-acetyloxyphenyl]-1,3-benzoxazole-4-carboxylic acid.
Chemical Property Profile of Tetraacetyl A 33853
Property Insights of Tetraacetyl A 33853
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraacetyl A 33853. The TPSA of 166.0 Ų indicates high polarity, suggesting Tetraacetyl A 33853 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetraacetyl A 33853 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetraacetyl A 33853?
The CAS number of Tetraacetyl A 33853 is 80161-47-3.
What is the molecular formula of Tetraacetyl A 33853?
The molecular formula of Tetraacetyl A 33853 is C26H19N3O9.
What is the molecular weight of Tetraacetyl A 33853?
The molecular weight of Tetraacetyl A 33853 is 517.11 g/mol.
Where can I buy Tetraacetyl A 33853?
You can request a quote for Tetraacetyl A 33853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraacetyl A 33853?
Yes, KEHONG BIO provides custom synthesis services for Tetraacetyl A 33853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.