C11H13ClN2O5
TL;DR: C11H13ClN2O5 (CAS 74131-08-1) is a chemical compound with molecular formula C11H13ClN2O5 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: (E)-5-(2-Chlorovinyl)deoxyuridine, 5-(2-Chlorovinyl)-2'-deoxyuridine, (E)-2'-Deoxy-5-(2-chlorovinyl)uridine, (E)-5-(2-Chlorovinyl)-2'-deoxyuridine, Uridine, 5-(2-chloroethenyl)-2'-deoxy-, (E)-
| Molecular Formula | C11H13ClN2O5 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0513 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 74131-08-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CCl)CO)O |
| InChIKey | LKILSWTYYBIIQE-DJLDLDEBSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C11H13ClN2O5 (CAS 74131-08-1), with molecular formula C11H13ClN2O5 and molecular weight 288.05 g/mol. IUPAC: 5-(2-chloroethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of C11H13ClN2O5
Property Insights of C11H13ClN2O5
The XLogP value of -0.5 indicates that C11H13ClN2O5 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 C11H13ClN2O5. Following Lipinski's Rule of Five, C11H13ClN2O5 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 C11H13ClN2O5?
The CAS number of C11H13ClN2O5 is 74131-08-1.
What is the molecular formula of C11H13ClN2O5?
The molecular formula of C11H13ClN2O5 is C11H13ClN2O5.
What is the molecular weight of C11H13ClN2O5?
The molecular weight of C11H13ClN2O5 is 288.05 g/mol.
Where can I buy C11H13ClN2O5?
You can request a quote for C11H13ClN2O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H13ClN2O5?
Yes, KEHONG BIO provides custom synthesis services for C11H13ClN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.