1-Propanesulfonic acid, 3-(methylphenylamino)-
TL;DR: 1-Propanesulfonic acid, 3-(methylphenylamino)- (CAS 40567-66-6) is a chemical compound with molecular formula C10H15NO3S and molecular weight 229.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-methylanilino)propane-1-sulfonic acid
Also Known As: N-methyl-N-sulphopropylaniline, 1-Propanesulfonic acid, 3-(methylphenylamino)-, 3-(N-methylanilino)propane-1-sulfonic acid, 3-(methylanilino)-1-propanesulfonic acid, 3-(Methyl(phenyl)amino)propane-1-sulfonic acid
| Molecular Formula | C10H15NO3S |
|---|---|
| Molecular Weight | 229.08 g/mol |
| LogP | 1.4007 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.07727 |
| Heavy Atoms | 15 |
| Complexity | 388.38834 |
Chemical Identifiers
| CAS Number | 40567-66-6 |
|---|---|
| SMILES | CN(CCCS(=O)(=O)O)C1=CC=CC=C1 |
Product Overview
1-Propanesulfonic acid, 3-(methylphenylamino)- (CAS 40567-66-6), with molecular formula C10H15NO3S and molecular weight 229.08 g/mol. IUPAC: 3-(N-methylanilino)propane-1-sulfonic acid.
Chemical Property Profile of 1-Propanesulfonic acid, 3-(methylphenylamino)-
Property Insights of 1-Propanesulfonic acid, 3-(methylphenylamino)-
The XLogP value of 1.4007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanesulfonic acid, 3-(methylphenylamino)-. With a topological polar surface area (TPSA) of 57.61 Ų, 1-Propanesulfonic acid, 3-(methylphenylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanesulfonic acid, 3-(methylphenylamino)- has 1 hydrogen bond donor(s) and 3 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 1-Propanesulfonic acid, 3-(methylphenylamino)-?
The CAS number of 1-Propanesulfonic acid, 3-(methylphenylamino)- is 40567-66-6.
What is the molecular formula of 1-Propanesulfonic acid, 3-(methylphenylamino)-?
The molecular formula of 1-Propanesulfonic acid, 3-(methylphenylamino)- is C10H15NO3S.
What is the molecular weight of 1-Propanesulfonic acid, 3-(methylphenylamino)-?
The molecular weight of 1-Propanesulfonic acid, 3-(methylphenylamino)- is 229.08 g/mol.
Where can I buy 1-Propanesulfonic acid, 3-(methylphenylamino)-?
You can request a quote for 1-Propanesulfonic acid, 3-(methylphenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanesulfonic acid, 3-(methylphenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanesulfonic acid, 3-(methylphenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.