(N-methylanilino)methanesulfonic acid
TL;DR: (N-methylanilino)methanesulfonic acid (CAS 752139-64-3) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(N-methylanilino)methanesulfonic acid
Also Known As: NCIOpen2_006077, (N-methyl-anilino)-methanesulfonic acid, (N-methylanilino)methanesulfonic acid
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 752139-64-3 |
|---|---|
| SMILES | CN(CS(=O)(=O)O)C1=CC=CC=C1 |
| InChIKey | XOGODJOZAUTXDH-UHFFFAOYSA-N |
Product Overview
(N-methylanilino)methanesulfonic acid (CAS 752139-64-3), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: (N-methylanilino)methanesulfonic acid.
Chemical Property Profile of (N-methylanilino)methanesulfonic acid
Property Insights of (N-methylanilino)methanesulfonic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (N-methylanilino)methanesulfonic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (N-methylanilino)methanesulfonic acid. Following Lipinski's Rule of Five, (N-methylanilino)methanesulfonic acid 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 (N-methylanilino)methanesulfonic acid?
The CAS number of (N-methylanilino)methanesulfonic acid is 752139-64-3.
What is the molecular formula of (N-methylanilino)methanesulfonic acid?
The molecular formula of (N-methylanilino)methanesulfonic acid is C8H11NO3S.
What is the molecular weight of (N-methylanilino)methanesulfonic acid?
The molecular weight of (N-methylanilino)methanesulfonic acid is 201.05 g/mol.
Where can I buy (N-methylanilino)methanesulfonic acid?
You can request a quote for (N-methylanilino)methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (N-methylanilino)methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (N-methylanilino)methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.