4'-C-hydroxymethylthymidine
TL;DR: 4'-C-hydroxymethylthymidine (CAS 63861-63-2) is a chemical compound with molecular formula C11H16N2O6 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S)-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 4'-Hydroxymethyl-thymidine, 4'-C-hydroxymethylthymidine, 4'-Hydroxymethylthymidine, 4'-OHMeT, 4'-C-hydroxymethyl-thymidine
| Molecular Formula | C11H16N2O6 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.10083 |
| Heavy Atoms | 19 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 63861-63-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C(O2)(CO)CO)O |
| InChIKey | ADFROXGIZKNJBH-JGVFFNPUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-C-hydroxymethylthymidine (CAS 63861-63-2), with molecular formula C11H16N2O6 and molecular weight 272.10 g/mol. IUPAC: 1-[(2R,4S)-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 4'-C-hydroxymethylthymidine
Property Insights of 4'-C-hydroxymethylthymidine
The XLogP value of -2.0 indicates that 4'-C-hydroxymethylthymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-C-hydroxymethylthymidine. Following Lipinski's Rule of Five, 4'-C-hydroxymethylthymidine has 4 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 4'-C-hydroxymethylthymidine?
The CAS number of 4'-C-hydroxymethylthymidine is 63861-63-2.
What is the molecular formula of 4'-C-hydroxymethylthymidine?
The molecular formula of 4'-C-hydroxymethylthymidine is C11H16N2O6.
What is the molecular weight of 4'-C-hydroxymethylthymidine?
The molecular weight of 4'-C-hydroxymethylthymidine is 272.10 g/mol.
Where can I buy 4'-C-hydroxymethylthymidine?
You can request a quote for 4'-C-hydroxymethylthymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-C-hydroxymethylthymidine?
Yes, KEHONG BIO provides custom synthesis services for 4'-C-hydroxymethylthymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.