N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine
TL;DR: N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine (CAS 198971-89-0) is a chemical compound with molecular formula C27H49NO3S and molecular weight 467.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(N-hexadecyl-3-methylanilino)butane-1-sulfonic acid
Also Known As: N-(HEXADECYL)-N-(4-SULFOBUTYL)-M-TOLUIDINE, 4-(N-hexadecyl-3-methylanilino)butane-1-sulfonic acid, 4-[hexadecyl-(3-methylphenyl)amino]butane-1-sulfonic Acid
| Molecular Formula | C27H49NO3S |
|---|---|
| Molecular Weight | 467.34 g/mol |
| LogP | 7.95072 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 467.34332 |
| Heavy Atoms | 32 |
| Complexity | 675.23395 |
Chemical Identifiers
| CAS Number | 198971-89-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN(CCCCS(=O)(=O)O)C1=CC=CC(=C1)C |
Product Overview
N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine (CAS 198971-89-0), with molecular formula C27H49NO3S and molecular weight 467.34 g/mol. IUPAC: 4-(N-hexadecyl-3-methylanilino)butane-1-sulfonic acid.
Chemical Property Profile of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine
Property Insights of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine
The XLogP value of 7.95072 indicates that N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine?
The CAS number of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine is 198971-89-0.
What is the molecular formula of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine?
The molecular formula of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine is C27H49NO3S.
What is the molecular weight of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine?
The molecular weight of N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine is 467.34 g/mol.
Where can I buy N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine?
You can request a quote for N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine?
Yes, KEHONG BIO provides custom synthesis services for N-(Hexadecyl)-N-(4-sulfobutyl)-M-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.