m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate
TL;DR: m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate (CAS 5819-60-3) is a chemical compound with molecular formula C22H33NO4S2 and molecular weight 439.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;4-octoxy-3-(phenylsulfanylmethyl)aniline
Also Known As: m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate, 4-(Octyloxy)-alpha-(phenylthio)-m-toluidine methanesulfonate, methanesulfonic acid;4-octoxy-3-(phenylsulfanylmethyl)aniline, Methanesulfonic acid, compd. with 4-(octyloxy)-alpha-(phenylthio)-m-toluidine (1:1), methanesulfonic acid; 4-octoxy-3-(phenylsulfanylmethyl)aniline
| Molecular Formula | C22H33NO4S2 |
|---|---|
| Molecular Weight | 439.19 g/mol |
| LogP | 5.8044 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 439.1851 |
| Heavy Atoms | 29 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 5819-60-3 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CSC2=CC=CC=C2.CS(=O)(=O)O |
| InChIKey | VALICJLSQRKUGN-UHFFFAOYSA-N |
Product Overview
m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate (CAS 5819-60-3), with molecular formula C22H33NO4S2 and molecular weight 439.19 g/mol. IUPAC: methanesulfonic acid;4-octoxy-3-(phenylsulfanylmethyl)aniline.
Chemical Property Profile of m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate
Property Insights of m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate
The XLogP value of 5.8044 indicates that m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate. Following Lipinski's Rule of Five, m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate has 2 hydrogen bond donor(s) and 6 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-(phenylthio)-, methanesulfonate?
The CAS number of m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate is 5819-60-3.
What is the molecular formula of m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate?
The molecular formula of m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate is C22H33NO4S2.
What is the molecular weight of m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate?
The molecular weight of m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate is 439.19 g/mol.
Where can I buy m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate?
You can request a quote for m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate 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-(phenylthio)-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for m-Toluidine, 4-(octyloxy)-alpha-(phenylthio)-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.