Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate
TL;DR: Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate (CAS 98096-10-7) is a chemical compound with molecular formula C14H23NO5S and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
Also Known As: Methanesulfonate de N-(3-methoxyphenacyl)tertiobutylamine [French], Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate, Methanesulfonate de N-(3-methoxyphenacyl)tertiobutylamine, 2-((1,1-Dimethylethyl)amino)-1-(3-methoxyphenyl)ethanone methanesulfonate, Methanesulfonate de (3-methoxyphenyl)(tertiobutylamino methyl)-cetone [French]
| Molecular Formula | C14H23NO5S |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 1.77 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1297 |
| Heavy Atoms | 21 |
| Complexity | 552.9722 |
Chemical Identifiers
| CAS Number | 98096-10-7 |
|---|---|
| SMILES | CC(C)(C)NCC(=O)C1=CC(=CC=C1)OC.CS(=O)(=O)O |
Product Overview
Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate (CAS 98096-10-7), with molecular formula C14H23NO5S and molecular weight 317.13 g/mol. IUPAC: 2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid.
Chemical Property Profile of Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate
Property Insights of Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate
The XLogP value of 1.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate. Following Lipinski's Rule of Five, Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate 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 Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate?
The CAS number of Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate is 98096-10-7.
What is the molecular formula of Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate?
The molecular formula of Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate is C14H23NO5S.
What is the molecular weight of Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate?
The molecular weight of Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate is 317.13 g/mol.
Where can I buy Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate?
You can request a quote for Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-((1,1-dimethylethyl)amino)-1-(3-methoxyphenyl)-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.