Dioxolane-THYMINE
TL;DR: Dioxolane-THYMINE (CAS 136982-89-3) is a chemical compound with molecular formula C9H12N2O5 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Dioxolane T, Dioxolane-THYMINE, Dioxolane thymidine, (+-)-Dioxolane-T, (-)-D-beta-Dioxolane T
| Molecular Formula | C9H12N2O5 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07462 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 136982-89-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)CO |
| InChIKey | BCAWWPAPHSAUQZ-RNFRBKRXSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioxolane-THYMINE (CAS 136982-89-3), with molecular formula C9H12N2O5 and molecular weight 228.07 g/mol. IUPAC: 1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Dioxolane-THYMINE
Property Insights of Dioxolane-THYMINE
The XLogP value of -2.4 indicates that Dioxolane-THYMINE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioxolane-THYMINE. Following Lipinski's Rule of Five, Dioxolane-THYMINE has 2 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 Dioxolane-THYMINE?
The CAS number of Dioxolane-THYMINE is 136982-89-3.
What is the molecular formula of Dioxolane-THYMINE?
The molecular formula of Dioxolane-THYMINE is C9H12N2O5.
What is the molecular weight of Dioxolane-THYMINE?
The molecular weight of Dioxolane-THYMINE is 228.07 g/mol.
Where can I buy Dioxolane-THYMINE?
You can request a quote for Dioxolane-THYMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioxolane-THYMINE?
Yes, KEHONG BIO provides custom synthesis services for Dioxolane-THYMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.