地西他滨
TL;DR: 地西他滨 (CAS 2353-33-5) is a chemical compound with molecular formula C8H12N4O4 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地西他滨
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Also Known As: Decitabine, 5-Aza-2'-deoxycytidine, urethane, Dacogen, a-Decitabine
| Molecular Formula | C8H12N4O4 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08586 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 2353-33-5 |
|---|---|
| SMILES | C1C(C(OC1N2C=NC(=NC2=O)N)CO)O |
| InChIKey | XAUDJQYHKZQPEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地西他滨 (CAS 2353-33-5), with molecular formula C8H12N4O4 and molecular weight 228.09 g/mol. IUPAC: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one.
Chemical Property Profile of 地西他滨
Property Insights of 地西他滨
The XLogP value of -1.2 indicates that 地西他滨 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 地西他滨. Following Lipinski's Rule of Five, 地西他滨 has 3 hydrogen bond donor(s) and 4 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 地西他滨?
The CAS number of 地西他滨 is 2353-33-5.
What is the molecular formula of 地西他滨?
The molecular formula of 地西他滨 is C8H12N4O4.
What is the molecular weight of 地西他滨?
The molecular weight of 地西他滨 is 228.09 g/mol.
Where can I buy 地西他滨?
You can request a quote for 地西他滨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地西他滨?
Yes, KEHONG BIO provides custom synthesis services for 地西他滨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.