Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-
TL;DR: Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- (CAS 66974-68-3) is a chemical compound with molecular formula C16H24ClN3O2 and molecular weight 325.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[[methyl(octyl)amino]diazenyl]benzoic acid
Also Known As: 5-chloro-2-[[methyl(octyl)amino]diazenyl]benzoic acid, Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-, 5-Chloro-2-[(1E)-3-methyl-3-octyltriaz-1-en-1-yl]benzoic acid
| Molecular Formula | C16H24ClN3O2 |
|---|---|
| Molecular Weight | 325.16 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 325.1557 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 66974-68-3 |
|---|---|
| SMILES | CCCCCCCCN(C)N=NC1=C(C=C(C=C1)Cl)C(=O)O |
| InChIKey | UPTQBUMDQJGNOB-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- (CAS 66974-68-3), with molecular formula C16H24ClN3O2 and molecular weight 325.16 g/mol. IUPAC: 5-chloro-2-[[methyl(octyl)amino]diazenyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-
Property Insights of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-
The XLogP value of 6.2 indicates that Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-. Following Lipinski's Rule of Five, Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-?
The CAS number of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- is 66974-68-3.
What is the molecular formula of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-?
The molecular formula of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- is C16H24ClN3O2.
What is the molecular weight of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-?
The molecular weight of Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- is 325.16 g/mol.
Where can I buy Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-?
You can request a quote for Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-chloro-2-(3-methyl-3-octyl-1-triazenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.