2,4-Dichlorobenzoic acid,sodium salt
TL;DR: 2,4-Dichlorobenzoic acid,sodium salt (CAS 38402-68-5) is a chemical compound with molecular formula C17H26N4NiO2 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(14-acetyl-7,13-dimethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone;nickel
Also Known As: 2,4-Dichlorobenzoic acid,sodium salt, [1,1'-(7,13-Dimethyl-1,4,8,12-tetraazacyclopentadeca-4,7,12,15-tetraene-6,14-diyl-kappa~4~N~1~,N~4~,N~8~,N~12~)di(ethan-1-one)]nickel, 1,1'-[(1E,12E)-7,13-Dimethyl-1,4,8,12-tetraazacyclopentadeca-4,7,12,15-tetraene-6,14-diyl]diethanone - nickel (1:1), 1-(14-acetyl-7,13-dimethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone,nickel, 1-(14-acetyl-7,13-dimethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone;nickel
| Molecular Formula | C17H26N4NiO2 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 1.8614 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.14093 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 38402-68-5 |
|---|---|
| SMILES | CC1=NCCCN=C(C(C=NCCN=CC1C(=O)C)C(=O)C)C.[Ni] |
| InChIKey | BLYOZIQHAHAMBK-UHFFFAOYSA-N |
Product Overview
2,4-Dichlorobenzoic acid,sodium salt (CAS 38402-68-5), with molecular formula C17H26N4NiO2 and molecular weight 376.14 g/mol. IUPAC: 1-(14-acetyl-7,13-dimethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone;nickel.
Chemical Property Profile of 2,4-Dichlorobenzoic acid,sodium salt
Property Insights of 2,4-Dichlorobenzoic acid,sodium salt
The XLogP value of 1.8614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichlorobenzoic acid,sodium salt. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichlorobenzoic acid,sodium salt. Following Lipinski's Rule of Five, 2,4-Dichlorobenzoic acid,sodium salt has 0 hydrogen bond donor(s) and 6 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 2,4-Dichlorobenzoic acid,sodium salt?
The CAS number of 2,4-Dichlorobenzoic acid,sodium salt is 38402-68-5.
What is the molecular formula of 2,4-Dichlorobenzoic acid,sodium salt?
The molecular formula of 2,4-Dichlorobenzoic acid,sodium salt is C17H26N4NiO2.
What is the molecular weight of 2,4-Dichlorobenzoic acid,sodium salt?
The molecular weight of 2,4-Dichlorobenzoic acid,sodium salt is 376.14 g/mol.
Where can I buy 2,4-Dichlorobenzoic acid,sodium salt?
You can request a quote for 2,4-Dichlorobenzoic acid,sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzoic acid,sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzoic acid,sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.