11E-937
TL;DR: 11E-937 (CAS 321391-77-9) is a chemical compound with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethoxy)-6-oxo-2-pyridin-2-yl-1H-pyrimidin-3-ium-5-carbonitrile chloride
Also Known As: 11E-937, 2-[5-cyano-4-(2-hydroxyethoxy)-6-oxo-1,6-dihydro-2-pyrimidinyl]pyridinium chloride, 2-[5-cyano-4-(2-hydroxyethoxy)-6-oxo-1H-pyrimidin-2-yl]pyridin-1-ium chloride, 4-(2-hydroxyethoxy)-6-oxo-2-pyridin-2-yl-1H-pyrimidin-3-ium-5-carbonitrile chloride, 6-(2-hydroxyethoxy)-4-oxo-2-pyridin-2-yl-1,3-dihydropyrimidine-5-carbonitrile Chloride
| Molecular Formula | C12H11ClN4O3 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | -3.50222 |
| Topological Polar Surface Area | 113.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.05197 |
| Heavy Atoms | 20 |
| Complexity | 666.63806 |
Chemical Identifiers
| CAS Number | 321391-77-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=[NH+]C(=C(C(=O)N2)C#N)OCCO.[Cl-] |
Product Overview
11E-937 (CAS 321391-77-9), with molecular formula C12H11ClN4O3 and molecular weight 294.05 g/mol. IUPAC: 4-(2-hydroxyethoxy)-6-oxo-2-pyridin-2-yl-1H-pyrimidin-3-ium-5-carbonitrile chloride.
Chemical Property Profile of 11E-937
Property Insights of 11E-937
The XLogP value of -3.50222 indicates that 11E-937 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 11E-937. Following Lipinski's Rule of Five, 11E-937 has 2 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 11E-937?
The CAS number of 11E-937 is 321391-77-9.
What is the molecular formula of 11E-937?
The molecular formula of 11E-937 is C12H11ClN4O3.
What is the molecular weight of 11E-937?
The molecular weight of 11E-937 is 294.05 g/mol.
Where can I buy 11E-937?
You can request a quote for 11E-937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-937?
Yes, KEHONG BIO provides custom synthesis services for 11E-937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.