2'-Deoxy-4'-methyl-4'-thiothymidine
TL;DR: 2'-Deoxy-4'-methyl-4'-thiothymidine (CAS 18520-96-2) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methylthiolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 4'-Methyl-4'-thiothymidine, 4'-C-methyl-4'-thioThymidine, 2'-Deoxy-4'-methyl-4'-thiothymidine, Thymidine, 4'-C-methyl-4'-thio, Thymidine,4'-C-methyl-4'-thio-
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 18520-96-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](S2)(C)CO)O |
| InChIKey | CWWKIGPGXZODQG-VAOFZXAKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-4'-methyl-4'-thiothymidine (CAS 18520-96-2), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methylthiolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-4'-methyl-4'-thiothymidine
Property Insights of 2'-Deoxy-4'-methyl-4'-thiothymidine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Deoxy-4'-methyl-4'-thiothymidine. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-4'-methyl-4'-thiothymidine. Following Lipinski's Rule of Five, 2'-Deoxy-4'-methyl-4'-thiothymidine 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 2'-Deoxy-4'-methyl-4'-thiothymidine?
The CAS number of 2'-Deoxy-4'-methyl-4'-thiothymidine is 18520-96-2.
What is the molecular formula of 2'-Deoxy-4'-methyl-4'-thiothymidine?
The molecular formula of 2'-Deoxy-4'-methyl-4'-thiothymidine is C11H16N2O4S.
What is the molecular weight of 2'-Deoxy-4'-methyl-4'-thiothymidine?
The molecular weight of 2'-Deoxy-4'-methyl-4'-thiothymidine is 272.08 g/mol.
Where can I buy 2'-Deoxy-4'-methyl-4'-thiothymidine?
You can request a quote for 2'-Deoxy-4'-methyl-4'-thiothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-4'-methyl-4'-thiothymidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-4'-methyl-4'-thiothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.