1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-
TL;DR: 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- (CAS 41519-18-0) is a chemical compound with molecular formula C12H19NO3S and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethyl-3-methylanilino)propane-1-sulfonic acid
Also Known As: ESPMT, n-ethyl-n-sulfopropyl-m-toluidine, n-ethyl-n-(3-sulfopropyl)-3-methylaniline, 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-, n-ethyl-n-sulfopropyl-3-methylaniline
| Molecular Formula | C12H19NO3S |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.10855 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 41519-18-0 |
|---|---|
| SMILES | CCN(CCCS(=O)(=O)O)C1=CC=CC(=C1)C |
| InChIKey | IBSUMVZKDLDAEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- (CAS 41519-18-0), with molecular formula C12H19NO3S and molecular weight 257.11 g/mol. IUPAC: 3-(N-ethyl-3-methylanilino)propane-1-sulfonic acid.
Chemical Property Profile of 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-
Property Insights of 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-. Following Lipinski's Rule of Five, 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- has 1 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-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-?
The CAS number of 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- is 41519-18-0.
What is the molecular formula of 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-?
The molecular formula of 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- is C12H19NO3S.
What is the molecular weight of 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-?
The molecular weight of 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- is 257.11 g/mol.
Where can I buy 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-?
You can request a quote for 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.