m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-
TL;DR: m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- (CAS 5819-63-6) is a chemical compound with molecular formula C12H19NO3S and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-3-(methylsulfonylmethyl)aniline
Also Known As: starbld0045809, m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-, 4-butoxy-3-(methylsulfonylmethyl)aniline, 4-Butoxy-alpha-(methylsulfonyl)-m-toluidine, 4-Butoxy-3-((methylsulfonyl)methyl)aniline
| Molecular Formula | C12H19NO3S |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.10855 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 5819-63-6 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C |
| InChIKey | LHRINDKYTZABEV-UHFFFAOYSA-N |
Product Overview
m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- (CAS 5819-63-6), with molecular formula C12H19NO3S and molecular weight 257.11 g/mol. IUPAC: 4-butoxy-3-(methylsulfonylmethyl)aniline.
Chemical Property Profile of m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-
Property Insights of m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-. Following Lipinski's Rule of Five, m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- 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, 4-butoxy-alpha-(methylsulfonyl)-?
The CAS number of m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- is 5819-63-6.
What is the molecular formula of m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-?
The molecular formula of m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- is C12H19NO3S.
What is the molecular weight of m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-?
The molecular weight of m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- is 257.11 g/mol.
Where can I buy m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-?
You can request a quote for m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- 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-butoxy-alpha-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.