Chemical Compound (C17H21BrN4O4)
TL;DR: Chemical Compound (C17H21BrN4O4) (CAS 124076-31-9) is a chemical compound with molecular formula C17H21BrN4O4 and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-[(pyridin-2-ylhydrazinylidene)methyl]pyridin-1-ium-1-yl]acetate bromide
| Molecular Formula | C17H21BrN4O4 |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | -2.11148 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.07462 |
| Heavy Atoms | 26 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 124076-31-9 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=C(C(=C(C(=C1)CO)C=NNC2=CC=CC=N2)O)C.[Br-] |
| InChIKey | RCPAZOJOBRHQSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chemical Compound (C17H21BrN4O4) (CAS 124076-31-9), with molecular formula C17H21BrN4O4 and molecular weight 424.07 g/mol. IUPAC: ethyl 2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-[(pyridin-2-ylhydrazinylidene)methyl]pyridin-1-ium-1-yl]acetate bromide.
Chemical Property Profile of Chemical Compound (C17H21BrN4O4)
Property Insights of Chemical Compound (C17H21BrN4O4)
The XLogP value of -2.11148 indicates that Chemical Compound (C17H21BrN4O4) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Chemical Compound (C17H21BrN4O4). Following Lipinski's Rule of Five, Chemical Compound (C17H21BrN4O4) has 3 hydrogen bond donor(s) and 8 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 Chemical Compound (C17H21BrN4O4)?
The CAS number of Chemical Compound (C17H21BrN4O4) is 124076-31-9.
What is the molecular formula of Chemical Compound (C17H21BrN4O4)?
The molecular formula of Chemical Compound (C17H21BrN4O4) is C17H21BrN4O4.
What is the molecular weight of Chemical Compound (C17H21BrN4O4)?
The molecular weight of Chemical Compound (C17H21BrN4O4) is 424.07 g/mol.
Where can I buy Chemical Compound (C17H21BrN4O4)?
You can request a quote for Chemical Compound (C17H21BrN4O4) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C17H21BrN4O4)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C17H21BrN4O4) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.