RefChem:564328
TL;DR: RefChem:564328 (CAS 68213-90-1) is a chemical compound with molecular formula C21H20ClN3O3S and molecular weight 429.0914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-3-chlorobenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 3-chloro-4-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-, 4-((p-(N-Benzyl-N-ethylamino)phenyl)azo)-3-chlorobenzenesulfonic acid, 4-(4-(((N-Benzyl-N-ethyl)amino)phenyl)azo)-3-chlorobenzenesulfonic acid, Benzenesulfonic acid, 3-chloro-4-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-, 4-((4-((Benzyl)ethylamino)phenyl)azo)-3-chlorobenzenesulphonic acid
Technical Specifications
| Molecular Formula | C21H20ClN3O3S |
| Molecular Weight | 429.0914 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.0914 Da |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)S(=O)(=O)O)Cl |
| InChIKey | WMSKOATWQHRPJI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:564328
Property Insights of RefChem:564328
The XLogP value of 5.1 indicates that RefChem:564328 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:564328. Following Lipinski's Rule of Five, RefChem:564328 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:564328?
The CAS number of RefChem:564328 is 68213-90-1.
What is the molecular formula of RefChem:564328?
The molecular formula of RefChem:564328 is C21H20ClN3O3S.
What is the molecular weight of RefChem:564328?
The molecular weight of RefChem:564328 is 429.0914 g/mol.
Where can I buy RefChem:564328?
You can request a quote for RefChem:564328 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:564328?
Yes, CoreyChem provides custom synthesis services for RefChem:564328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.