Thiarabine
TL;DR: Thiarabine (CAS 32083-66-2) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Also Known As: Thio-Cytarabine, 4'-Thioaracytidine, T-araC, 4-thio-araC, 4'-Thio-ara-C
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 32083-66-2 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)O |
| InChIKey | GAKJJSAXUFZQTL-CCXZUQQUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiarabine (CAS 32083-66-2), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of Thiarabine
Property Insights of Thiarabine
The XLogP value of -1.3 indicates that Thiarabine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting Thiarabine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiarabine has 4 hydrogen bond donor(s) and 5 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 Thiarabine?
The CAS number of Thiarabine is 32083-66-2.
What is the molecular formula of Thiarabine?
The molecular formula of Thiarabine is C9H13N3O4S.
What is the molecular weight of Thiarabine?
The molecular weight of Thiarabine is 259.06 g/mol.
Where can I buy Thiarabine?
You can request a quote for Thiarabine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiarabine?
Yes, KEHONG BIO provides custom synthesis services for Thiarabine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.