3-O-Methoxyacetylthymidine
TL;DR: 3-O-Methoxyacetylthymidine (CAS 57064-86-5) is a chemical compound with molecular formula C13H18N2O7 and molecular weight 314.11 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-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-methoxyacetate
Also Known As: 3-O-Methoxyacetylthymidine, Thymidine, 3'-(methoxyacetate), 3'-O-(Methoxyacetyl)thymidine, [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-methoxyacetate, RefChem:95151
| Molecular Formula | C13H18N2O7 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | -1.31698 |
| Topological Polar Surface Area | 119.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1114 |
| Heavy Atoms | 22 |
| Complexity | 650.52405 |
Chemical Identifiers
| CAS Number | 57064-86-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC(=O)COC |
Product Overview
3-O-Methoxyacetylthymidine (CAS 57064-86-5), with molecular formula C13H18N2O7 and molecular weight 314.11 g/mol. IUPAC: [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-methoxyacetate.
Chemical Property Profile of 3-O-Methoxyacetylthymidine
Property Insights of 3-O-Methoxyacetylthymidine
The XLogP value of -1.31698 indicates that 3-O-Methoxyacetylthymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Methoxyacetylthymidine. Following Lipinski's Rule of Five, 3-O-Methoxyacetylthymidine has 2 hydrogen bond donor(s) and 7 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-Methoxyacetylthymidine?
The CAS number of 3-O-Methoxyacetylthymidine is 57064-86-5.
What is the molecular formula of 3-O-Methoxyacetylthymidine?
The molecular formula of 3-O-Methoxyacetylthymidine is C13H18N2O7.
What is the molecular weight of 3-O-Methoxyacetylthymidine?
The molecular weight of 3-O-Methoxyacetylthymidine is 314.11 g/mol.
Where can I buy 3-O-Methoxyacetylthymidine?
You can request a quote for 3-O-Methoxyacetylthymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Methoxyacetylthymidine?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Methoxyacetylthymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.