2'-Deoxy-4'-thiocytidine
TL;DR: 2'-Deoxy-4'-thiocytidine (CAS 134111-30-1) 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-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Also Known As: 2-Dtcd, 2'-Deoxy-4'-thiocytidine, 4'-Thio-2'-deoxycytidine, 4-Thio-2-Deoxycytidine, Cytidine, 2'-deoxy-4'-thio-
| Molecular Formula | C9H13N3O3S |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.06776 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 134111-30-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](SC1N2C=CC(=NC2=O)N)CO)O |
| InChIKey | MOMUJZRKXYLWMH-FWHJPCMOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-4'-thiocytidine (CAS 134111-30-1), with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol. IUPAC: 4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 2'-Deoxy-4'-thiocytidine
Property Insights of 2'-Deoxy-4'-thiocytidine
The XLogP value of -0.9 indicates that 2'-Deoxy-4'-thiocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-4'-thiocytidine. Following Lipinski's Rule of Five, 2'-Deoxy-4'-thiocytidine 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 2'-Deoxy-4'-thiocytidine?
The CAS number of 2'-Deoxy-4'-thiocytidine is 134111-30-1.
What is the molecular formula of 2'-Deoxy-4'-thiocytidine?
The molecular formula of 2'-Deoxy-4'-thiocytidine is C9H13N3O3S.
What is the molecular weight of 2'-Deoxy-4'-thiocytidine?
The molecular weight of 2'-Deoxy-4'-thiocytidine is 243.07 g/mol.
Where can I buy 2'-Deoxy-4'-thiocytidine?
You can request a quote for 2'-Deoxy-4'-thiocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-4'-thiocytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-4'-thiocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.