5-Aza-3a?deoxycytidine
TL;DR: 5-Aza-3a?deoxycytidine (CAS 455951-65-2) 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.
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Also Known As: 5-Aza-3a?deoxycytidine, 5-Aza-3 inverted exclamation mark -deoxycytidine, 4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
| Molecular Formula | C8H12N4O4 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | -2.1388 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08586 |
| Heavy Atoms | 16 |
| Complexity | 434.29166 |
Chemical Identifiers
| CAS Number | 455951-65-2 |
|---|---|
| SMILES | C1[C@H](O[C@H]([C@@H]1O)N2C=NC(=NC2=O)N)CO |
Product Overview
5-Aza-3a?deoxycytidine (CAS 455951-65-2), with molecular formula C8H12N4O4 and molecular weight 228.09 g/mol. IUPAC: 4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one.
Chemical Property Profile of 5-Aza-3a?deoxycytidine
Property Insights of 5-Aza-3a?deoxycytidine
The XLogP value of -2.1388 indicates that 5-Aza-3a?deoxycytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Aza-3a?deoxycytidine. Following Lipinski's Rule of Five, 5-Aza-3a?deoxycytidine has 3 hydrogen bond donor(s) and 7 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 5-Aza-3a?deoxycytidine?
The CAS number of 5-Aza-3a?deoxycytidine is 455951-65-2.
What is the molecular formula of 5-Aza-3a?deoxycytidine?
The molecular formula of 5-Aza-3a?deoxycytidine is C8H12N4O4.
What is the molecular weight of 5-Aza-3a?deoxycytidine?
The molecular weight of 5-Aza-3a?deoxycytidine is 228.09 g/mol.
Where can I buy 5-Aza-3a?deoxycytidine?
You can request a quote for 5-Aza-3a?deoxycytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Aza-3a?deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Aza-3a?deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.