5'-Deoxy-5'-iodouridine
TL;DR: 5'-Deoxy-5'-iodouridine (CAS 16861-22-6) is a chemical compound with molecular formula C9H11IN2O5 and molecular weight 353.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5'-Deoxy-5'-iodouridine, 5'-Iod-uridine, 5'-Iodo-2'deoxyuridine, 5'-iodo-5'-deoxyuridine, Uridine, 5'-deoxy-5'-iodo-
| Molecular Formula | C9H11IN2O5 |
|---|---|
| Molecular Weight | 353.97 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.97128 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 16861-22-6 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O |
| InChIKey | NEMNIUYGXIQPPK-XVFCMESISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-Deoxy-5'-iodouridine (CAS 16861-22-6), with molecular formula C9H11IN2O5 and molecular weight 353.97 g/mol. IUPAC: 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 5'-Deoxy-5'-iodouridine
Property Insights of 5'-Deoxy-5'-iodouridine
The XLogP value of -0.7 indicates that 5'-Deoxy-5'-iodouridine 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 5'-Deoxy-5'-iodouridine. Following Lipinski's Rule of Five, 5'-Deoxy-5'-iodouridine 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 5'-Deoxy-5'-iodouridine?
The CAS number of 5'-Deoxy-5'-iodouridine is 16861-22-6.
What is the molecular formula of 5'-Deoxy-5'-iodouridine?
The molecular formula of 5'-Deoxy-5'-iodouridine is C9H11IN2O5.
What is the molecular weight of 5'-Deoxy-5'-iodouridine?
The molecular weight of 5'-Deoxy-5'-iodouridine is 353.97 g/mol.
Where can I buy 5'-Deoxy-5'-iodouridine?
You can request a quote for 5'-Deoxy-5'-iodouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Deoxy-5'-iodouridine?
Yes, KEHONG BIO provides custom synthesis services for 5'-Deoxy-5'-iodouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.