1-Ethyl-2-quinoliniumsulfonate
TL;DR: 1-Ethyl-2-quinoliniumsulfonate (CAS 4385-35-7) is a chemical compound with molecular formula C11H12NO3S+ and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylquinolin-1-ium-2-sulfonic acid
Also Known As: 3-Isochromanone, 1-ethyl-2-quinoliniumsulfonate, 1-ethylquinoline-2-sulfonic Acid, 1-ethylquinolin-1-ium-2-sulfonic acid
| Molecular Formula | C11H12NO3S+ |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.05379 |
| Heavy Atoms | 16 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 4385-35-7 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)S(=O)(=O)O |
| InChIKey | VDLUATXFGISGEH-UHFFFAOYSA-O |
Product Overview
1-Ethyl-2-quinoliniumsulfonate (CAS 4385-35-7), with molecular formula C11H12NO3S+ and molecular weight 238.05 g/mol. IUPAC: 1-ethylquinolin-1-ium-2-sulfonic acid.
Chemical Property Profile of 1-Ethyl-2-quinoliniumsulfonate
Property Insights of 1-Ethyl-2-quinoliniumsulfonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-2-quinoliniumsulfonate. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-2-quinoliniumsulfonate. Following Lipinski's Rule of Five, 1-Ethyl-2-quinoliniumsulfonate has 1 hydrogen bond donor(s) and 3 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 1-Ethyl-2-quinoliniumsulfonate?
The CAS number of 1-Ethyl-2-quinoliniumsulfonate is 4385-35-7.
What is the molecular formula of 1-Ethyl-2-quinoliniumsulfonate?
The molecular formula of 1-Ethyl-2-quinoliniumsulfonate is C11H12NO3S+.
What is the molecular weight of 1-Ethyl-2-quinoliniumsulfonate?
The molecular weight of 1-Ethyl-2-quinoliniumsulfonate is 238.05 g/mol.
Where can I buy 1-Ethyl-2-quinoliniumsulfonate?
You can request a quote for 1-Ethyl-2-quinoliniumsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2-quinoliniumsulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2-quinoliniumsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.