3'-O-Acetyl-4-thiothymidine
TL;DR: 3'-O-Acetyl-4-thiothymidine (CAS 20188-76-5) is a chemical compound with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: 3'-O-Acetyl-4-thiothymidine, Thymidine, 4-thio-, 3'-acetate, [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-3-yl] acetate, 1-(3-O-Acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one, RefChem:90489
| Molecular Formula | C12H16N2O5S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 0.42581 |
| Topological Polar Surface Area | 93.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.078 |
| Heavy Atoms | 20 |
| Complexity | 623.0091 |
Chemical Identifiers
| CAS Number | 20188-76-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)OC(=O)C |
Product Overview
3'-O-Acetyl-4-thiothymidine (CAS 20188-76-5), with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol. IUPAC: [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-3-yl] acetate.
Chemical Property Profile of 3'-O-Acetyl-4-thiothymidine
Property Insights of 3'-O-Acetyl-4-thiothymidine
The XLogP value of 0.42581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-O-Acetyl-4-thiothymidine. The TPSA of 93.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-O-Acetyl-4-thiothymidine. Following Lipinski's Rule of Five, 3'-O-Acetyl-4-thiothymidine has 2 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'-O-Acetyl-4-thiothymidine?
The CAS number of 3'-O-Acetyl-4-thiothymidine is 20188-76-5.
What is the molecular formula of 3'-O-Acetyl-4-thiothymidine?
The molecular formula of 3'-O-Acetyl-4-thiothymidine is C12H16N2O5S.
What is the molecular weight of 3'-O-Acetyl-4-thiothymidine?
The molecular weight of 3'-O-Acetyl-4-thiothymidine is 300.08 g/mol.
Where can I buy 3'-O-Acetyl-4-thiothymidine?
You can request a quote for 3'-O-Acetyl-4-thiothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-Acetyl-4-thiothymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-Acetyl-4-thiothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.