RefChem:452339
TL;DR: RefChem:452339 (CAS 59737-01-8) is a chemical compound with molecular formula C20H24N2O5S and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydrogen sulfate;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Also Known As: EINECS 261-895-3, 2-(2-((4-Methoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate, 2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate, 3H-Indolium, 2-[2-[(4-methoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (1:1), hydrogen sulfate; 4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
| Molecular Formula | C20H24N2O5S |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 3.3316 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1406 |
| Heavy Atoms | 28 |
| Complexity | 985.51105 |
Chemical Identifiers
| CAS Number | 59737-01-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1/C=C/NC3=CC=C(C=C3)OC)C)C.OS(=O)(=O)[O-] |
Product Overview
RefChem:452339 (CAS 59737-01-8), with molecular formula C20H24N2O5S and molecular weight 404.14 g/mol. IUPAC: hydrogen sulfate;4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline.
Chemical Property Profile of RefChem:452339
Property Insights of RefChem:452339
The XLogP value of 3.3316 indicates that RefChem:452339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:452339. Following Lipinski's Rule of Five, RefChem:452339 has 2 hydrogen bond donor(s) and 5 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:452339?
The CAS number of RefChem:452339 is 59737-01-8.
What is the molecular formula of RefChem:452339?
The molecular formula of RefChem:452339 is C20H24N2O5S.
What is the molecular weight of RefChem:452339?
The molecular weight of RefChem:452339 is 404.14 g/mol.
Where can I buy RefChem:452339?
You can request a quote for RefChem:452339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:452339?
Yes, KEHONG BIO provides custom synthesis services for RefChem:452339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.