RefChem:79715
TL;DR: RefChem:79715 (CAS 63148-86-7) is a chemical compound with molecular formula C21H23Cl2N3O3S and molecular weight 467.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonate
Also Known As: 1H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-(2-(phenylamino)ethenyl)-3-(3-sulfobutyl)-, inner salt, 5,6-dichloro-1-ethyl-2-[2- vinyl]-3-1h-benzimidazolium, 1H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-[2-(phenylamino)ethenyl]-3-(3-sulfobutyl)-, inner salt, 5,6-dichloro-1-ethyl-2-[2-(phenylamino)vinyl]-3-(3-sulphonatobutyl)-1H-benzimidazolium, 4-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonate
| Molecular Formula | C21H23Cl2N3O3S |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.0837 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 63148-86-7 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2[N+](=C1C=CNC3=CC=CC=C3)CCC(C)S(=O)(=O)[O-])Cl)Cl |
| InChIKey | FQBBPSDOXCQKMM-UHFFFAOYSA-N |
Product Overview
RefChem:79715 (CAS 63148-86-7), with molecular formula C21H23Cl2N3O3S and molecular weight 467.08 g/mol. IUPAC: 4-[2-(2-anilinoethenyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonate.
Chemical Property Profile of RefChem:79715
Property Insights of RefChem:79715
The XLogP value of 4.7 indicates that RefChem:79715 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79715. Following Lipinski's Rule of Five, RefChem:79715 has 1 hydrogen bond donor(s) and 4 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:79715?
The CAS number of RefChem:79715 is 63148-86-7.
What is the molecular formula of RefChem:79715?
The molecular formula of RefChem:79715 is C21H23Cl2N3O3S.
What is the molecular weight of RefChem:79715?
The molecular weight of RefChem:79715 is 467.08 g/mol.
Where can I buy RefChem:79715?
You can request a quote for RefChem:79715 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79715?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79715 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.