m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-
TL;DR: m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- (CAS 5819-66-9) is a chemical compound with molecular formula C16H27NO3S and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methylsulfonylmethyl)-4-octoxyaniline
Also Known As: starbld0036114, m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-, 3-(methylsulfonylmethyl)-4-octoxyaniline, alpha-(Methylsulfonyl)-4-octyloxy-m-toluidine, 3-((Methylsulfonyl)methyl)-4-(octyloxy)aniline
| Molecular Formula | C16H27NO3S |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 313.17117 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 5819-66-9 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C |
| InChIKey | HQDQUGNEIKZWRM-UHFFFAOYSA-N |
Product Overview
m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- (CAS 5819-66-9), with molecular formula C16H27NO3S and molecular weight 313.17 g/mol. IUPAC: 3-(methylsulfonylmethyl)-4-octoxyaniline.
Chemical Property Profile of m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-
Property Insights of m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-
The XLogP value of 3.8 indicates that m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- 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, alpha-(methylsulfonyl)-4-octyloxy-. Following Lipinski's Rule of Five, m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- has 1 hydrogen bond donor(s) and 4 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 m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-?
The CAS number of m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- is 5819-66-9.
What is the molecular formula of m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-?
The molecular formula of m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- is C16H27NO3S.
What is the molecular weight of m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-?
The molecular weight of m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- is 313.17 g/mol.
Where can I buy m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-?
You can request a quote for m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy-?
Yes, KEHONG BIO provides custom synthesis services for m-Toluidine, alpha-(methylsulfonyl)-4-octyloxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.