3'-Deoxy-2-thio-Cytidine
TL;DR: 3'-Deoxy-2-thio-Cytidine (CAS 455951-62-9) is a chemical compound with molecular formula C9H13N3O3S and molecular weight 243.07 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]pyrimidine-2-thione
Also Known As: 3'-Deoxy-2-thio-Cytidine, 4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
| Molecular Formula | C9H13N3O3S |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | -0.16451 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.06776 |
| Heavy Atoms | 16 |
| Complexity | 436.25253 |
Chemical Identifiers
| CAS Number | 455951-62-9 |
|---|---|
| SMILES | C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=S)N)CO |
Product Overview
3'-Deoxy-2-thio-Cytidine (CAS 455951-62-9), with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol. IUPAC: 4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione.
Chemical Property Profile of 3'-Deoxy-2-thio-Cytidine
Property Insights of 3'-Deoxy-2-thio-Cytidine
The XLogP value of -0.16451 indicates that 3'-Deoxy-2-thio-Cytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Deoxy-2-thio-Cytidine. Following Lipinski's Rule of Five, 3'-Deoxy-2-thio-Cytidine has 3 hydrogen bond donor(s) and 6 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 3'-Deoxy-2-thio-Cytidine?
The CAS number of 3'-Deoxy-2-thio-Cytidine is 455951-62-9.
What is the molecular formula of 3'-Deoxy-2-thio-Cytidine?
The molecular formula of 3'-Deoxy-2-thio-Cytidine is C9H13N3O3S.
What is the molecular weight of 3'-Deoxy-2-thio-Cytidine?
The molecular weight of 3'-Deoxy-2-thio-Cytidine is 243.07 g/mol.
Where can I buy 3'-Deoxy-2-thio-Cytidine?
You can request a quote for 3'-Deoxy-2-thio-Cytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxy-2-thio-Cytidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxy-2-thio-Cytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.