RefChem:416567
TL;DR: RefChem:416567 (CAS 14445-79-5) is a chemical compound with molecular formula C7ClNNa2O4 and molecular weight 242.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-(azanidylidenemethylidene)-2-chloro-3,4,6-trioxocyclohexen-1-olate
Also Known As: 1,4-Cyclohexadiene-1-carbonitrile, 4-chloro-2,5-dihydroxy-3,6-dioxo-, disodium salt, disodium 2-chloro-5-cyano-3,6-dioxocyclohexa-1,4-diene-1,4-diolate, 1,4-Cyclohexadiene-1-carbonitrile, 4-chloro-2,5-dihydroxy-3,6-dioxo-, sodium salt (1:2), DISODIUM 2-CHLORO-5-CYANO-3,6-DIOXOCYCLOHEXA-1,4-DIENE-1,4-BIS(OLATE), RefChem:416567
| Molecular Formula | C7ClNNa2O4 |
|---|---|
| Molecular Weight | 242.93 g/mol |
| LogP | -7.31 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.93112 |
| Heavy Atoms | 15 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 14445-79-5 |
|---|---|
| SMILES | C(=C1C(=O)C(=C(C(=O)C1=O)Cl)[O-])=[N-].[Na+].[Na+] |
| InChIKey | YTKUZRVOWLCUBK-UHFFFAOYSA-M |
Product Overview
RefChem:416567 (CAS 14445-79-5), with molecular formula C7ClNNa2O4 and molecular weight 242.93 g/mol. IUPAC: disodium;5-(azanidylidenemethylidene)-2-chloro-3,4,6-trioxocyclohexen-1-olate.
Chemical Property Profile of RefChem:416567
Property Insights of RefChem:416567
The XLogP value of -7.31 indicates that RefChem:416567 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:416567. Following Lipinski's Rule of Five, RefChem:416567 has 0 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:416567?
The CAS number of RefChem:416567 is 14445-79-5.
What is the molecular formula of RefChem:416567?
The molecular formula of RefChem:416567 is C7ClNNa2O4.
What is the molecular weight of RefChem:416567?
The molecular weight of RefChem:416567 is 242.93 g/mol.
Where can I buy RefChem:416567?
You can request a quote for RefChem:416567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:416567?
Yes, KEHONG BIO provides custom synthesis services for RefChem:416567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.