Benzenesulfonic acid, 4-(ethylamino)-3-methyl-
TL;DR: Benzenesulfonic acid, 4-(ethylamino)-3-methyl- (CAS 64346-75-4) is a chemical compound with molecular formula C9H13NO3S and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethylamino)-3-methylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-(ethylamino)-3-methyl-, 4-(ethylamino)-3-methylbenzenesulfonic acid, 4-(ethylamino)-3-methylbenzene-1-sulfonic acid, RefChem:564478
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 64346-75-4 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)S(=O)(=O)O)C |
| InChIKey | NUNNXNFOLDZZFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-(ethylamino)-3-methyl- (CAS 64346-75-4), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: 4-(ethylamino)-3-methylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-(ethylamino)-3-methyl-
Property Insights of Benzenesulfonic acid, 4-(ethylamino)-3-methyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-(ethylamino)-3-methyl-. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-(ethylamino)-3-methyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-(ethylamino)-3-methyl- has 2 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 Benzenesulfonic acid, 4-(ethylamino)-3-methyl-?
The CAS number of Benzenesulfonic acid, 4-(ethylamino)-3-methyl- is 64346-75-4.
What is the molecular formula of Benzenesulfonic acid, 4-(ethylamino)-3-methyl-?
The molecular formula of Benzenesulfonic acid, 4-(ethylamino)-3-methyl- is C9H13NO3S.
What is the molecular weight of Benzenesulfonic acid, 4-(ethylamino)-3-methyl-?
The molecular weight of Benzenesulfonic acid, 4-(ethylamino)-3-methyl- is 215.06 g/mol.
Where can I buy Benzenesulfonic acid, 4-(ethylamino)-3-methyl-?
You can request a quote for Benzenesulfonic acid, 4-(ethylamino)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-(ethylamino)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-(ethylamino)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.