Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine
TL;DR: Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine (CAS 5896-89-9) is a chemical compound with molecular formula C16H29NO4S and molecular weight 331.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;3-methyl-4-octoxyaniline
Also Known As: starbld0010078, 4-(Octyloxy)-m-toluidine methanesulfonate, m-Toluidine, 4-(octyloxy)-, methanesulfonate, methanesulfonic acid;3-methyl-4-octoxyaniline, Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine (7CI)
| Molecular Formula | C16H29NO4S |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 3.82052 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.18173 |
| Heavy Atoms | 22 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 5896-89-9 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)C.CS(=O)(=O)O |
| InChIKey | WDCLWLNEBPGTEV-UHFFFAOYSA-N |
Product Overview
Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine (CAS 5896-89-9), with molecular formula C16H29NO4S and molecular weight 331.18 g/mol. IUPAC: methanesulfonic acid;3-methyl-4-octoxyaniline.
Chemical Property Profile of Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine
Property Insights of Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine
The XLogP value of 3.82052 indicates that Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine. Following Lipinski's Rule of Five, Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine has 2 hydrogen bond donor(s) and 5 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 4-(octyloxy)-m-toluidine?
The CAS number of Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine is 5896-89-9.
What is the molecular formula of Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine?
The molecular formula of Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine is C16H29NO4S.
What is the molecular weight of Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine?
The molecular weight of Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine is 331.18 g/mol.
Where can I buy Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine?
You can request a quote for Methanesulfonic acid, compd. with 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 4-(octyloxy)-m-toluidine?
Yes, KEHONG BIO provides custom synthesis services for Methanesulfonic acid, compd. with 4-(octyloxy)-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.