m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-
TL;DR: m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)- (CAS 5819-69-2) is a chemical compound with molecular formula C17H29NO3S and molecular weight 327.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylsulfonylmethyl)-4-octoxyaniline
Also Known As: m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-, alpha-(Ethylsulfonyl)-4-(octyloxy)-m-toluidine, 3-(ethylsulfonylmethyl)-4-octoxyaniline, 3-[(Ethanesulfonyl)methyl]-4-(octyloxy)aniline, BRN 2752211
| Molecular Formula | C17H29NO3S |
|---|---|
| Molecular Weight | 327.19 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 327.18683 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 5819-69-2 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)CC |
| InChIKey | ADTLTEWHWRIKCF-UHFFFAOYSA-N |
Product Overview
m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)- (CAS 5819-69-2), with molecular formula C17H29NO3S and molecular weight 327.19 g/mol. IUPAC: 3-(ethylsulfonylmethyl)-4-octoxyaniline.
Chemical Property Profile of m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-
Property Insights of m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-
The XLogP value of 4.2 indicates that m-Toluidine, alpha-(ethylsulfonyl)-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-(ethylsulfonyl)-4-(octyloxy)-. Following Lipinski's Rule of Five, m-Toluidine, alpha-(ethylsulfonyl)-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-(ethylsulfonyl)-4-(octyloxy)-?
The CAS number of m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)- is 5819-69-2.
What is the molecular formula of m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-?
The molecular formula of m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)- is C17H29NO3S.
What is the molecular weight of m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-?
The molecular weight of m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)- is 327.19 g/mol.
Where can I buy m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)-?
You can request a quote for m-Toluidine, alpha-(ethylsulfonyl)-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-(ethylsulfonyl)-4-(octyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for m-Toluidine, alpha-(ethylsulfonyl)-4-(octyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.