RefChem:376981
TL;DR: RefChem:376981 (CAS 54738-61-3) is a chemical compound with molecular formula C21H19ClN6O3 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]phenyl]methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
Also Known As: (4-Phenylethynylphenyl)methanol, Pyridinium, 1-(2-(((4-(2-(5-nitro-1-vinyl-1H-imidazol-2-yl)vinyl)phenyl)methylene)hydrazino)-2-oxoethyl)-, chloride, hydrate (1:1:2), 1-[1-{4-[(Z)-2-(5-Nitro-1-vinyl-1H-imidazol-2-yl)-vinyl]-phenyl}-meth-(Z)-ylidene-hydrazinocarbonylmethyl]-pyridinium; chloride, RefChem:376981
| Molecular Formula | C21H19ClN6O3 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | -0.496 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.12073 |
| Heavy Atoms | 31 |
| Complexity | 1107.9036 |
Chemical Identifiers
| CAS Number | 54738-61-3 |
|---|---|
| SMILES | C=CN1C(=CN=C1/C=C/C2=CC=C(C=C2)/C=N/NC(=O)C[N+]3=CC=CC=C3)[N+](=O)[O-].[Cl-] |
Product Overview
RefChem:376981 (CAS 54738-61-3), with molecular formula C21H19ClN6O3 and molecular weight 438.12 g/mol. IUPAC: N-[(E)-[4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]phenyl]methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride.
Chemical Property Profile of RefChem:376981
Property Insights of RefChem:376981
The XLogP value of -0.496 indicates that RefChem:376981 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:376981. Following Lipinski's Rule of Five, RefChem:376981 has 1 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 RefChem:376981?
The CAS number of RefChem:376981 is 54738-61-3.
What is the molecular formula of RefChem:376981?
The molecular formula of RefChem:376981 is C21H19ClN6O3.
What is the molecular weight of RefChem:376981?
The molecular weight of RefChem:376981 is 438.12 g/mol.
Where can I buy RefChem:376981?
You can request a quote for RefChem:376981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:376981?
Yes, KEHONG BIO provides custom synthesis services for RefChem:376981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.