3'-O-(methylthiomethyl)thymidine
TL;DR: 3'-O-(methylthiomethyl)thymidine (CAS 133510-56-2) is a chemical compound with molecular formula C12H18N2O5S and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(methylsulfanylmethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-O-(methylthiomethyl)thymidine, 3 -O-[(Methylthio)methyl]thymidine, J1.156.973K, 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(methylsulfanylmethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(methylsulfanylmethoxy)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
| Molecular Formula | C12H18N2O5S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | -0.16948 |
| Topological Polar Surface Area | 93.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.09363 |
| Heavy Atoms | 20 |
| Complexity | 569.7015 |
Chemical Identifiers
| CAS Number | 133510-56-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OCSC |
Product Overview
3'-O-(methylthiomethyl)thymidine (CAS 133510-56-2), with molecular formula C12H18N2O5S and molecular weight 302.09 g/mol. IUPAC: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(methylsulfanylmethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 3'-O-(methylthiomethyl)thymidine
Property Insights of 3'-O-(methylthiomethyl)thymidine
The XLogP value of -0.16948 indicates that 3'-O-(methylthiomethyl)thymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-O-(methylthiomethyl)thymidine. Following Lipinski's Rule of Five, 3'-O-(methylthiomethyl)thymidine 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-(methylthiomethyl)thymidine?
The CAS number of 3'-O-(methylthiomethyl)thymidine is 133510-56-2.
What is the molecular formula of 3'-O-(methylthiomethyl)thymidine?
The molecular formula of 3'-O-(methylthiomethyl)thymidine is C12H18N2O5S.
What is the molecular weight of 3'-O-(methylthiomethyl)thymidine?
The molecular weight of 3'-O-(methylthiomethyl)thymidine is 302.09 g/mol.
Where can I buy 3'-O-(methylthiomethyl)thymidine?
You can request a quote for 3'-O-(methylthiomethyl)thymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-(methylthiomethyl)thymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-(methylthiomethyl)thymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.