O-Methylthymidine
TL;DR: O-Methylthymidine (CAS 50591-13-4) is a chemical compound with molecular formula C11H18N2O5 and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-5-methyl-1,6-dihydropyrimidin-2-one
Also Known As: O-Methylthymidine, O4-Methylthymidine, 04-Methyl-dT, O(sup 4)Methylthymidine, Thymidine, O(sup 4)-methyl-
| Molecular Formula | C11H18N2O5 |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.12158 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 50591-13-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1OC)[C@H]2C[C@@H]([C@H](O2)CO)O |
| InChIKey | UWJHNTGDBVTLFO-UWOKOIHUSA-N |
Product Overview
O-Methylthymidine (CAS 50591-13-4), with molecular formula C11H18N2O5 and molecular weight 258.12 g/mol. IUPAC: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-5-methyl-1,6-dihydropyrimidin-2-one.
Chemical Property Profile of O-Methylthymidine
Property Insights of O-Methylthymidine
The XLogP value of -1.4 indicates that O-Methylthymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methylthymidine. Following Lipinski's Rule of Five, O-Methylthymidine has 3 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 O-Methylthymidine?
The CAS number of O-Methylthymidine is 50591-13-4.
What is the molecular formula of O-Methylthymidine?
The molecular formula of O-Methylthymidine is C11H18N2O5.
What is the molecular weight of O-Methylthymidine?
The molecular weight of O-Methylthymidine is 258.12 g/mol.
Where can I buy O-Methylthymidine?
You can request a quote for O-Methylthymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylthymidine?
Yes, KEHONG BIO provides custom synthesis services for O-Methylthymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.