m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-
TL;DR: m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- (CAS 5819-78-3) is a chemical compound with molecular formula C22H31NO3S and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline
Also Known As: m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-, 4-(Octyloxy)-alpha-(p-tolylsulfonyl)-m-toluidine, 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline, 3-[(4-Methylbenzene-1-sulfonyl)methyl]-4-(octyloxy)aniline, RefChem:351589
| Molecular Formula | C22H31NO3S |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 389.20245 |
| Heavy Atoms | 27 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 5819-78-3 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | XHSDFGAXDKSCBK-UHFFFAOYSA-N |
Product Overview
m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- (CAS 5819-78-3), with molecular formula C22H31NO3S and molecular weight 389.20 g/mol. IUPAC: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline.
Chemical Property Profile of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-
Property Insights of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-
The XLogP value of 5.7 indicates that m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-. Following Lipinski's Rule of Five, m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-?
The CAS number of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- is 5819-78-3.
What is the molecular formula of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-?
The molecular formula of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- is C22H31NO3S.
What is the molecular weight of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-?
The molecular weight of m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- is 389.20 g/mol.
Where can I buy m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-?
You can request a quote for m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.