1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate
TL;DR: 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate (CAS 87549-66-4) is a chemical compound with molecular formula C19H27N2O4S- and molecular weight 379.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine;4-methylbenzenesulfonate
Also Known As: 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate, 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-,4-methylbenzenesulfonate, 4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine; 4-methylbenzenesulfonate
| Molecular Formula | C19H27N2O4S- |
|---|---|
| Molecular Weight | 379.17 g/mol |
| LogP | 2.94904 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.16916 |
| Heavy Atoms | 26 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 87549-66-4 |
|---|---|
| SMILES | CCN(CCOC)C1=CC(=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | QJNVAFZHBQNXJT-UHFFFAOYSA-M |
Product Overview
1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate (CAS 87549-66-4), with molecular formula C19H27N2O4S- and molecular weight 379.17 g/mol. IUPAC: 4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine;4-methylbenzenesulfonate.
Chemical Property Profile of 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate
Property Insights of 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate
The XLogP value of 2.94904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 6 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 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate?
The CAS number of 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate is 87549-66-4.
What is the molecular formula of 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate?
The molecular formula of 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate is C19H27N2O4S-.
What is the molecular weight of 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate?
The molecular weight of 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate is 379.17 g/mol.
Where can I buy 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate?
You can request a quote for 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.