1-Ethyl-6-methoxyquinolinium-2-sulfonate
TL;DR: 1-Ethyl-6-methoxyquinolinium-2-sulfonate (CAS 4800-56-0) is a chemical compound with molecular formula C12H13NO4S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-methoxyquinolin-1-ium-2-sulfonate
Also Known As: 1-ethyl-6-methoxy-2-quinoliniumsulfonate, 1-ethyl-6-methoxyquinolinium-2-sulfonate, 1-ethyl-6-methoxyquinolin-1-ium-2-sulfonate, 1-ethyl-6-methoxy-2-sulfoquinolinium hydroxide
| Molecular Formula | C12H13NO4S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 1.0599 |
| Topological Polar Surface Area | 70.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.05652 |
| Heavy Atoms | 18 |
| Complexity | 694.5348 |
Chemical Identifiers
| CAS Number | 4800-56-0 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)S(=O)(=O)[O-] |
Product Overview
1-Ethyl-6-methoxyquinolinium-2-sulfonate (CAS 4800-56-0), with molecular formula C12H13NO4S and molecular weight 267.06 g/mol. IUPAC: 1-ethyl-6-methoxyquinolin-1-ium-2-sulfonate.
Chemical Property Profile of 1-Ethyl-6-methoxyquinolinium-2-sulfonate
Property Insights of 1-Ethyl-6-methoxyquinolinium-2-sulfonate
The XLogP value of 1.0599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-6-methoxyquinolinium-2-sulfonate. The TPSA of 70.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-6-methoxyquinolinium-2-sulfonate. Following Lipinski's Rule of Five, 1-Ethyl-6-methoxyquinolinium-2-sulfonate 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 1-Ethyl-6-methoxyquinolinium-2-sulfonate?
The CAS number of 1-Ethyl-6-methoxyquinolinium-2-sulfonate is 4800-56-0.
What is the molecular formula of 1-Ethyl-6-methoxyquinolinium-2-sulfonate?
The molecular formula of 1-Ethyl-6-methoxyquinolinium-2-sulfonate is C12H13NO4S.
What is the molecular weight of 1-Ethyl-6-methoxyquinolinium-2-sulfonate?
The molecular weight of 1-Ethyl-6-methoxyquinolinium-2-sulfonate is 267.06 g/mol.
Where can I buy 1-Ethyl-6-methoxyquinolinium-2-sulfonate?
You can request a quote for 1-Ethyl-6-methoxyquinolinium-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-6-methoxyquinolinium-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6-methoxyquinolinium-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.