1-(2'-Deoxy-beta-threopentofuranosyl)thymine
TL;DR: 1-(2'-Deoxy-beta-threopentofuranosyl)thymine (CAS 16053-52-4) is a chemical compound with molecular formula C10H14N2O5 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: thymidine, d-thymidine, DThyd, 1-Dpft, 3'-beta-Thymidine
| Molecular Formula | C10H14N2O5 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.09027 |
| Heavy Atoms | 17 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 16053-52-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)O |
| InChIKey | IQFYYKKMVGJFEH-BWZBUEFSSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2'-Deoxy-beta-threopentofuranosyl)thymine (CAS 16053-52-4), with molecular formula C10H14N2O5 and molecular weight 242.09 g/mol. IUPAC: 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(2'-Deoxy-beta-threopentofuranosyl)thymine
Property Insights of 1-(2'-Deoxy-beta-threopentofuranosyl)thymine
The XLogP value of -1.2 indicates that 1-(2'-Deoxy-beta-threopentofuranosyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2'-Deoxy-beta-threopentofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(2'-Deoxy-beta-threopentofuranosyl)thymine 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 1-(2'-Deoxy-beta-threopentofuranosyl)thymine?
The CAS number of 1-(2'-Deoxy-beta-threopentofuranosyl)thymine is 16053-52-4.
What is the molecular formula of 1-(2'-Deoxy-beta-threopentofuranosyl)thymine?
The molecular formula of 1-(2'-Deoxy-beta-threopentofuranosyl)thymine is C10H14N2O5.
What is the molecular weight of 1-(2'-Deoxy-beta-threopentofuranosyl)thymine?
The molecular weight of 1-(2'-Deoxy-beta-threopentofuranosyl)thymine is 242.09 g/mol.
Where can I buy 1-(2'-Deoxy-beta-threopentofuranosyl)thymine?
You can request a quote for 1-(2'-Deoxy-beta-threopentofuranosyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2'-Deoxy-beta-threopentofuranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2'-Deoxy-beta-threopentofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.