O-Triacetyl-N-acetyl-ara-C
TL;DR: O-Triacetyl-N-acetyl-ara-C (CAS 6873-09-2) is a chemical compound with molecular formula C17H21N3O9 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
Also Known As: Epiberberine, Tetraacetylarabinosylcytosine, O-TRIACETYL-N-ACETYL-ARA-C, Cytosine, 2',3',5'-triacetate, N-Acetyl-2'-O,3'-O,5'-O-triacetylcytidine
| Molecular Formula | C17H21N3O9 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.12778 |
| Heavy Atoms | 29 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 6873-09-2 |
|---|---|
| SMILES | CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | SABGQSSAGOWXJK-UHFFFAOYSA-N |
Product Overview
O-Triacetyl-N-acetyl-ara-C (CAS 6873-09-2), with molecular formula C17H21N3O9 and molecular weight 411.13 g/mol. IUPAC: [5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate.
Chemical Property Profile of O-Triacetyl-N-acetyl-ara-C
Property Insights of O-Triacetyl-N-acetyl-ara-C
The XLogP value of -0.2 indicates that O-Triacetyl-N-acetyl-ara-C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting O-Triacetyl-N-acetyl-ara-C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Triacetyl-N-acetyl-ara-C 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 O-Triacetyl-N-acetyl-ara-C?
The CAS number of O-Triacetyl-N-acetyl-ara-C is 6873-09-2.
What is the molecular formula of O-Triacetyl-N-acetyl-ara-C?
The molecular formula of O-Triacetyl-N-acetyl-ara-C is C17H21N3O9.
What is the molecular weight of O-Triacetyl-N-acetyl-ara-C?
The molecular weight of O-Triacetyl-N-acetyl-ara-C is 411.13 g/mol.
Where can I buy O-Triacetyl-N-acetyl-ara-C?
You can request a quote for O-Triacetyl-N-acetyl-ara-C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Triacetyl-N-acetyl-ara-C?
Yes, KEHONG BIO provides custom synthesis services for O-Triacetyl-N-acetyl-ara-C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.