Decitabine Related Compound C
TL;DR: Decitabine Related Compound C (CAS 1193165-26-2) is a chemical compound with molecular formula C22H18Cl2N4O6 and molecular weight 504.06 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-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
Also Known As: Decitabine Related Compound C, 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine, 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine, [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate, [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobe
| Molecular Formula | C22H18Cl2N4O6 |
|---|---|
| Molecular Weight | 504.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.06033 |
| Heavy Atoms | 34 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 1193165-26-2 |
|---|---|
| SMILES | C1C(C(OC1N2C=NC(=NC2=O)N)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl |
| InChIKey | TWEZWUPSUOJPMB-UHFFFAOYSA-N |
Product Overview
Decitabine Related Compound C (CAS 1193165-26-2), with molecular formula C22H18Cl2N4O6 and molecular weight 504.06 g/mol. IUPAC: [5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate.
Chemical Property Profile of Decitabine Related Compound C
Property Insights of Decitabine Related Compound C
The XLogP value of 3.6 indicates that Decitabine Related Compound C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Decitabine Related Compound C. Following Lipinski's Rule of Five, Decitabine Related Compound C has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decitabine Related Compound C?
The CAS number of Decitabine Related Compound C is 1193165-26-2.
What is the molecular formula of Decitabine Related Compound C?
The molecular formula of Decitabine Related Compound C is C22H18Cl2N4O6.
What is the molecular weight of Decitabine Related Compound C?
The molecular weight of Decitabine Related Compound C is 504.06 g/mol.
Where can I buy Decitabine Related Compound C?
You can request a quote for Decitabine Related Compound C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decitabine Related Compound C?
Yes, KEHONG BIO provides custom synthesis services for Decitabine Related Compound C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.