3'-Acetylthio-3'-deoxythymidine
TL;DR: 3'-Acetylthio-3'-deoxythymidine (CAS 115913-88-7) 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.
S-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] ethanethioate
Also Known As: 3'-Acetylthio-ddT, 3'-Acetylthio-3'-deoxythymidine, Thymidine, 3'-thio-, 3'-acetate, 3'-Thio-Thymidine 3'-Acetate, 1-(3-S-Acetyl-2-deoxy-3-thiopentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
| Molecular Formula | C12H16N2O5S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.078 |
| Heavy Atoms | 20 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 115913-88-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SC(=O)C |
| InChIKey | GQTPSSXMGAEGLR-KXUCPTDWSA-N |
Product Overview
3'-Acetylthio-3'-deoxythymidine (CAS 115913-88-7), with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol. IUPAC: S-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] ethanethioate.
Chemical Property Profile of 3'-Acetylthio-3'-deoxythymidine
Property Insights of 3'-Acetylthio-3'-deoxythymidine
The XLogP value of -0.2 indicates that 3'-Acetylthio-3'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Acetylthio-3'-deoxythymidine. Following Lipinski's Rule of Five, 3'-Acetylthio-3'-deoxythymidine 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'-Acetylthio-3'-deoxythymidine?
The CAS number of 3'-Acetylthio-3'-deoxythymidine is 115913-88-7.
What is the molecular formula of 3'-Acetylthio-3'-deoxythymidine?
The molecular formula of 3'-Acetylthio-3'-deoxythymidine is C12H16N2O5S.
What is the molecular weight of 3'-Acetylthio-3'-deoxythymidine?
The molecular weight of 3'-Acetylthio-3'-deoxythymidine is 300.08 g/mol.
Where can I buy 3'-Acetylthio-3'-deoxythymidine?
You can request a quote for 3'-Acetylthio-3'-deoxythymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Acetylthio-3'-deoxythymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Acetylthio-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.