5-Aza-4'-thio-2'-deoxycytidine
TL;DR: 5-Aza-4'-thio-2'-deoxycytidine (CAS 169514-76-5) is a chemical compound with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,3,5-triazin-2-one
Also Known As: 5-Aza-t-dcyd, 5-aza-4'-thio-2'-deoxycytidine, aza-TdCyd, Aza-TdC, 5-Aza-TdCyd
| Molecular Formula | C8H12N4O3S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | -1.4222 |
| Topological Polar Surface Area | 114.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.06302 |
| Heavy Atoms | 16 |
| Complexity | 437.53674 |
Chemical Identifiers
| CAS Number | 169514-76-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](S[C@H]1N2C=NC(=NC2=O)N)CO)O |
Product Overview
5-Aza-4'-thio-2'-deoxycytidine (CAS 169514-76-5), with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol. IUPAC: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,3,5-triazin-2-one.
Chemical Property Profile of 5-Aza-4'-thio-2'-deoxycytidine
Property Insights of 5-Aza-4'-thio-2'-deoxycytidine
The XLogP value of -1.4222 indicates that 5-Aza-4'-thio-2'-deoxycytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Aza-4'-thio-2'-deoxycytidine. Following Lipinski's Rule of Five, 5-Aza-4'-thio-2'-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-4'-thio-2'-deoxycytidine?
The CAS number of 5-Aza-4'-thio-2'-deoxycytidine is 169514-76-5.
What is the molecular formula of 5-Aza-4'-thio-2'-deoxycytidine?
The molecular formula of 5-Aza-4'-thio-2'-deoxycytidine is C8H12N4O3S.
What is the molecular weight of 5-Aza-4'-thio-2'-deoxycytidine?
The molecular weight of 5-Aza-4'-thio-2'-deoxycytidine is 244.06 g/mol.
Where can I buy 5-Aza-4'-thio-2'-deoxycytidine?
You can request a quote for 5-Aza-4'-thio-2'-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-4'-thio-2'-deoxycytidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Aza-4'-thio-2'-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.