1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine
TL;DR: 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine (CAS 124355-31-3) is a chemical compound with molecular formula C13H16N4O5 and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-imidazol-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-Imidazol-arabino-dT, 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine, 1-(3-Imidazol-1-yl-3-deoxy-.beta.-D-arabinofuranosyl)thymine, 1-[3-(1H-Imidazol-1-yl)-3-deoxy-beta-D-arabinofuranosyl]thymine, 1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(1H-imidazol-1-yl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C13H16N4O5 |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.11206 |
| Heavy Atoms | 22 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 124355-31-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N3C=CN=C3)O |
| InChIKey | XXRJCZKYYMVQTJ-MWGHHZFTSA-N |
Product Overview
1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine (CAS 124355-31-3), with molecular formula C13H16N4O5 and molecular weight 308.11 g/mol. IUPAC: 1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-imidazol-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine
Property Insights of 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine
The XLogP value of -2.1 indicates that 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine has 3 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 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine?
The CAS number of 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine is 124355-31-3.
What is the molecular formula of 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine?
The molecular formula of 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine is C13H16N4O5.
What is the molecular weight of 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine?
The molecular weight of 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine is 308.11 g/mol.
Where can I buy 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine?
You can request a quote for 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Imidazol-1-yl-3-deoxy-beta-D-arabinofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.