m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride
TL;DR: m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride (CAS 5819-56-7) is a chemical compound with molecular formula C18H32ClNOS and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octoxy-3-(propylsulfanylmethyl)aniline;hydrochloride
Also Known As: starbld0033137, m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride, 4-(Octyloxy)-alpha-(propylthio)-m-toluidine hydrochloride, 4-octoxy-3-(propylsulfanylmethyl)aniline;hydrochloride, 4-(Octyloxy)-3-((propylthio)methyl)aniline hydrochloride
| Molecular Formula | C18H32ClNOS |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 6.0731 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 345.1893 |
| Heavy Atoms | 22 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 5819-56-7 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CSCCC.Cl |
| InChIKey | KSNDKVUISGBHDR-UHFFFAOYSA-N |
Product Overview
m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride (CAS 5819-56-7), with molecular formula C18H32ClNOS and molecular weight 345.19 g/mol. IUPAC: 4-octoxy-3-(propylsulfanylmethyl)aniline;hydrochloride.
Chemical Property Profile of m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride
Property Insights of m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride
The XLogP value of 6.0731 indicates that m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride. Following Lipinski's Rule of Five, m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride has 2 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 m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride?
The CAS number of m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride is 5819-56-7.
What is the molecular formula of m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride?
The molecular formula of m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride is C18H32ClNOS.
What is the molecular weight of m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride?
The molecular weight of m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride is 345.19 g/mol.
Where can I buy m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride?
You can request a quote for m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride 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-(propylthio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.