3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid
TL;DR: 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid (CAS 132327-75-4) is a chemical compound with molecular formula C13H21NO3S and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid
Also Known As: N-ETHYL-N-(3-SULFOPROPYL)-3,5-DIMETHYLANILINE, 3-[(3,5-dimethylphenyl)-ethyl-amino]propane-1-sulfonic Acid, 3-[2-(3,5-dimethylphenyl)ethylamino]propane-1-sulfonic acid
| Molecular Formula | C13H21NO3S |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.40764 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.1242 |
| Heavy Atoms | 18 |
| Complexity | 476.70786 |
Chemical Identifiers
| CAS Number | 132327-75-4 |
|---|---|
| SMILES | CCN(CCCS(=O)(=O)O)C1=CC(=CC(=C1)C)C |
Product Overview
3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid (CAS 132327-75-4), with molecular formula C13H21NO3S and molecular weight 271.12 g/mol. IUPAC: 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid.
Chemical Property Profile of 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid
Property Insights of 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid
The XLogP value of 2.40764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid 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 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid?
The CAS number of 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid is 132327-75-4.
What is the molecular formula of 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid?
The molecular formula of 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid is C13H21NO3S.
What is the molecular weight of 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid?
The molecular weight of 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid is 271.12 g/mol.
Where can I buy 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid?
You can request a quote for 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-ethyl-3,5-dimethylanilino)propane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.