3-Hydroxyethyldeoxyuridine
TL;DR: 3-Hydroxyethyldeoxyuridine (CAS 111447-33-7) 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.
3-(2-hydroxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 3-Hydroxyethyldeoxyuridine, 3-HE-dU, 2'-Deoxy-3-(2-hydroxyethyl)uridine, 3-(2-Hydroxyethyl)-2'-deoxyuridine, 3-(2-Hydroxyethyl)-2 -deoxyuridine
| Molecular Formula | C11H16N2O6 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.10083 |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 111447-33-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)CO)O |
| InChIKey | IYLUHFMMDXPRTF-QXFUBDJGSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxyethyldeoxyuridine (CAS 111447-33-7), with molecular formula C11H16N2O6 and molecular weight 272.10 g/mol. IUPAC: 3-(2-hydroxyethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 3-Hydroxyethyldeoxyuridine
Property Insights of 3-Hydroxyethyldeoxyuridine
The XLogP value of -2.1 indicates that 3-Hydroxyethyldeoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyethyldeoxyuridine. Following Lipinski's Rule of Five, 3-Hydroxyethyldeoxyuridine 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 3-Hydroxyethyldeoxyuridine?
The CAS number of 3-Hydroxyethyldeoxyuridine is 111447-33-7.
What is the molecular formula of 3-Hydroxyethyldeoxyuridine?
The molecular formula of 3-Hydroxyethyldeoxyuridine is C11H16N2O6.
What is the molecular weight of 3-Hydroxyethyldeoxyuridine?
The molecular weight of 3-Hydroxyethyldeoxyuridine is 272.10 g/mol.
Where can I buy 3-Hydroxyethyldeoxyuridine?
You can request a quote for 3-Hydroxyethyldeoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyethyldeoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyethyldeoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.