RefChem:178298
TL;DR: RefChem:178298 (CAS 29637-14-7) is a chemical compound with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate
Also Known As: 2-[(1-Ethyl-2(1H)-quinolinylidene)methyl]-1-(4-sulfobutyl)quinolinium, inner salt, 2-((1-Ethyl-2(1H)-quinolinylidene)methyl)-1-(4-sulfobutyl)quinolinium, inner salt, Quinolinium, 2-((1-ethyl-2(1H)-quinolinylidene)methyl)-1-(4-sulfobutyl)-, inner salt, Quinolinium, 2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-1-(4-sulfobutyl)-, inner salt, 2-[(1-ethyl-2(1H)-quinolylidene)methyl]-1-(4-sulphonatobutyl)quinolinium
| Molecular Formula | C25H26N2O3S |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1664 |
| Heavy Atoms | 31 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 29637-14-7 |
|---|---|
| SMILES | CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC4=CC=CC=C41 |
| InChIKey | KJPXJAFAOHLARG-UHFFFAOYSA-N |
Product Overview
RefChem:178298 (CAS 29637-14-7), with molecular formula C25H26N2O3S and molecular weight 434.17 g/mol. IUPAC: 4-[2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]butane-1-sulfonate.
Chemical Property Profile of RefChem:178298
Property Insights of RefChem:178298
The XLogP value of 4.8 indicates that RefChem:178298 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:178298. Following Lipinski's Rule of Five, RefChem:178298 has 0 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:178298?
The CAS number of RefChem:178298 is 29637-14-7.
What is the molecular formula of RefChem:178298?
The molecular formula of RefChem:178298 is C25H26N2O3S.
What is the molecular weight of RefChem:178298?
The molecular weight of RefChem:178298 is 434.17 g/mol.
Where can I buy RefChem:178298?
You can request a quote for RefChem:178298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178298?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.