Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine
TL;DR: Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine (CAS 5819-55-6) is a chemical compound with molecular formula C18H33NO4S2 and molecular weight 391.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylsulfanylmethyl)-4-octoxyaniline;methanesulfonic acid
Also Known As: alpha-(Ethylthio)-4-(octyloxy)-m-toluidine methanesulfonate, Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine (7CI), 3-(ethylsulfanylmethyl)-4-octoxyaniline;methanesulfonic acid, m-Toluidine, alpha-(ethylthio)-4-(octyloxy)-, methanesulfonate, Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine
| Molecular Formula | C18H33NO4S2 |
|---|---|
| Molecular Weight | 391.19 g/mol |
| LogP | 4.7652 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 391.1851 |
| Heavy Atoms | 25 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 5819-55-6 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CSCC.CS(=O)(=O)O |
| InChIKey | ZVPUAUXVPYCBGM-UHFFFAOYSA-N |
Product Overview
Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine (CAS 5819-55-6), with molecular formula C18H33NO4S2 and molecular weight 391.19 g/mol. IUPAC: 3-(ethylsulfanylmethyl)-4-octoxyaniline;methanesulfonic acid.
Chemical Property Profile of Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine
Property Insights of Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine
The XLogP value of 4.7652 indicates that Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine 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 Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine. Following Lipinski's Rule of Five, Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine has 2 hydrogen bond donor(s) and 6 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 Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine?
The CAS number of Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine is 5819-55-6.
What is the molecular formula of Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine?
The molecular formula of Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine is C18H33NO4S2.
What is the molecular weight of Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine?
The molecular weight of Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine is 391.19 g/mol.
Where can I buy Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine?
You can request a quote for Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid, compd. with alpha-(ethylthio)-4-(octyloxy)-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.