RefChem:95810
TL;DR: RefChem:95810 (CAS 71873-57-9) is a chemical compound with molecular formula C24H28ClN3O4S and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]propanenitrile;methyl sulfate
Also Known As: 3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, methyl sulfate, 3H-Indolium, 5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate, 3H-Indolium, 5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate (1:1), 3-[4-[(E)-2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]propanenitrile,methyl sulfate, 3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, methyl sulfate (1:1)
| Molecular Formula | C24H28ClN3O4S |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 4.50228 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.1489 |
| Heavy Atoms | 33 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 71873-57-9 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)Cl)[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.COS(=O)(=O)[O-] |
| InChIKey | IWNXFZCGTNCPPU-UHFFFAOYSA-M |
Product Overview
RefChem:95810 (CAS 71873-57-9), with molecular formula C24H28ClN3O4S and molecular weight 489.15 g/mol. IUPAC: 3-[4-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]propanenitrile;methyl sulfate.
Chemical Property Profile of RefChem:95810
Property Insights of RefChem:95810
The XLogP value of 4.50228 indicates that RefChem:95810 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:95810. Following Lipinski's Rule of Five, RefChem:95810 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 RefChem:95810?
The CAS number of RefChem:95810 is 71873-57-9.
What is the molecular formula of RefChem:95810?
The molecular formula of RefChem:95810 is C24H28ClN3O4S.
What is the molecular weight of RefChem:95810?
The molecular weight of RefChem:95810 is 489.15 g/mol.
Where can I buy RefChem:95810?
You can request a quote for RefChem:95810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95810?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.