RefChem:452817
TL;DR: RefChem:452817 (CAS 72319-18-7) is a chemical compound with molecular formula C23H26N3O4S- and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate
Also Known As: EINECS 276-586-9, 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, sulfate (1:1), 2-(2-(4-((2-Cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate, 276-586-9
| Molecular Formula | C23H26N3O4S- |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 3.41788 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1644 |
| Heavy Atoms | 31 |
| Complexity | 1120.1567 |
Chemical Identifiers
| CAS Number | 72319-18-7 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.[O-]S(=O)(=O)[O-] |
Product Overview
RefChem:452817 (CAS 72319-18-7), with molecular formula C23H26N3O4S- and molecular weight 440.16 g/mol. IUPAC: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate.
Chemical Property Profile of RefChem:452817
Property Insights of RefChem:452817
The XLogP value of 3.41788 indicates that RefChem:452817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:452817. Following Lipinski's Rule of Five, RefChem:452817 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:452817?
The CAS number of RefChem:452817 is 72319-18-7.
What is the molecular formula of RefChem:452817?
The molecular formula of RefChem:452817 is C23H26N3O4S-.
What is the molecular weight of RefChem:452817?
The molecular weight of RefChem:452817 is 440.16 g/mol.
Where can I buy RefChem:452817?
You can request a quote for RefChem:452817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:452817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:452817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.