5-Iodovinyldeoxyuridine
TL;DR: 5-Iodovinyldeoxyuridine (CAS 87727-68-2) is a chemical compound with molecular formula C11H13IN2O5 and molecular weight 379.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodoethenyl)pyrimidine-2,4-dione
Also Known As: 5-iodovinyldeoxyuridine, E-5-(2-Iodovinyl)-durd, 5-(2-iodovinyl)-2'-deoxyuridine, 2'-Deoxy-5-[(Z)-2-iodovinyl]uridine
| Molecular Formula | C11H13IN2O5 |
|---|---|
| Molecular Weight | 379.99 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.9869 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 87727-68-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CI)CO)O |
| InChIKey | LOLNFJHUEIDGNH-DJLDLDEBSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Iodovinyldeoxyuridine (CAS 87727-68-2), with molecular formula C11H13IN2O5 and molecular weight 379.99 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodoethenyl)pyrimidine-2,4-dione.
Chemical Property Profile of 5-Iodovinyldeoxyuridine
Property Insights of 5-Iodovinyldeoxyuridine
The XLogP value of -0.2 indicates that 5-Iodovinyldeoxyuridine 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-Iodovinyldeoxyuridine. Following Lipinski's Rule of Five, 5-Iodovinyldeoxyuridine 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-Iodovinyldeoxyuridine?
The CAS number of 5-Iodovinyldeoxyuridine is 87727-68-2.
What is the molecular formula of 5-Iodovinyldeoxyuridine?
The molecular formula of 5-Iodovinyldeoxyuridine is C11H13IN2O5.
What is the molecular weight of 5-Iodovinyldeoxyuridine?
The molecular weight of 5-Iodovinyldeoxyuridine is 379.99 g/mol.
Where can I buy 5-Iodovinyldeoxyuridine?
You can request a quote for 5-Iodovinyldeoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodovinyldeoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodovinyldeoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.