5-氮杂-2'-脱氧胞苷-5'-三磷酸酯
TL;DR: 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 (CAS 74839-90-0) is a chemical compound with molecular formula C8H15N4O13P3 and molecular weight 467.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氮杂-2'-脱氧胞苷-5'-三磷酸酯
[[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 5-Aza-dctp, 3-Methyladenosine, 5-Aza-2'-deoxycytidine-5'-triphosphate, (Decitabine triphosphate), 5-AZA-2'-DEOXYCYTIDINE TRIPHOSPHATE
| Molecular Formula | C8H15N4O13P3 |
|---|---|
| Molecular Weight | 467.98 g/mol |
| LogP | -5.4 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.98483 |
| Heavy Atoms | 28 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 74839-90-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | GCYYBBDIYHRTCW-KVQBGUIXSA-N |
Product Overview
5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 (CAS 74839-90-0), with molecular formula C8H15N4O13P3 and molecular weight 467.98 g/mol. IUPAC: [[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯
Property Insights of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯
The XLogP value of -5.4 indicates that 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯?
The CAS number of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 is 74839-90-0.
What is the molecular formula of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯?
The molecular formula of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 is C8H15N4O13P3.
What is the molecular weight of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯?
The molecular weight of 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 is 467.98 g/mol.
Where can I buy 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯?
You can request a quote for 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 5-氮杂-2'-脱氧胞苷-5'-三磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.