5-Azacytidine,3',5'-tribenzoate
TL;DR: 5-Azacytidine,3',5'-tribenzoate (CAS 28998-36-9) is a chemical compound with molecular formula C29H24N4O8 and molecular weight 556.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
Also Known As: 5-Azacytidine,3',5'-tribenzoate, [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate, s-Triazin-2(1H)-one, 2',3',5'-tribenzoate, 4-Amino-1-(2,3,5-tri-O-benzoylpentofuranosyl)-1,3,5-triazin-2(1H)-one, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2,3,5-tri-O-benzoyl-.beta.-D-ribofuranosyl)-
| Molecular Formula | C29H24N4O8 |
|---|---|
| Molecular Weight | 556.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.1594 |
| Heavy Atoms | 41 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 28998-36-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC(=NC3=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | XMEBCSNOBVAIDQ-UHFFFAOYSA-N |
Product Overview
5-Azacytidine,3',5'-tribenzoate (CAS 28998-36-9), with molecular formula C29H24N4O8 and molecular weight 556.16 g/mol. IUPAC: [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate.
Chemical Property Profile of 5-Azacytidine,3',5'-tribenzoate
Property Insights of 5-Azacytidine,3',5'-tribenzoate
The XLogP value of 3.6 indicates that 5-Azacytidine,3',5'-tribenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 5-Azacytidine,3',5'-tribenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Azacytidine,3',5'-tribenzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Azacytidine,3',5'-tribenzoate?
The CAS number of 5-Azacytidine,3',5'-tribenzoate is 28998-36-9.
What is the molecular formula of 5-Azacytidine,3',5'-tribenzoate?
The molecular formula of 5-Azacytidine,3',5'-tribenzoate is C29H24N4O8.
What is the molecular weight of 5-Azacytidine,3',5'-tribenzoate?
The molecular weight of 5-Azacytidine,3',5'-tribenzoate is 556.16 g/mol.
Where can I buy 5-Azacytidine,3',5'-tribenzoate?
You can request a quote for 5-Azacytidine,3',5'-tribenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Azacytidine,3',5'-tribenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Azacytidine,3',5'-tribenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.