1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)
TL;DR: 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) (CAS 68104-02-9) is a chemical compound with molecular formula C10H18N2O5S and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-1-N,1-N,5-trimethylbenzene-1,4-diamine;sulfuric acid
Also Known As: di-5-Asp, 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1), 2-methoxy-1-N,1-N,5-trimethylbenzene-1,4-diamine,sulfuric acid, 2-methoxy-1-N,1-N,5-trimethylbenzene-1,4-diamine; sulfuric acid, Sulfuric acid--2-methoxy-N~1~,N~1~,5-trimethylbenzene-1,4-diamine (1/1)
| Molecular Formula | C10H18N2O5S |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 0.99902 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.09363 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 68104-02-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)OC)N(C)C.OS(=O)(=O)O |
| InChIKey | MONVLHBEFWKMJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) (CAS 68104-02-9), with molecular formula C10H18N2O5S and molecular weight 278.09 g/mol. IUPAC: 2-methoxy-1-N,1-N,5-trimethylbenzene-1,4-diamine;sulfuric acid.
Chemical Property Profile of 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)
Property Insights of 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)
The XLogP value of 0.99902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1). The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1). Following Lipinski's Rule of Five, 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) has 3 hydrogen bond donor(s) and 7 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, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)?
The CAS number of 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) is 68104-02-9.
What is the molecular formula of 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)?
The molecular formula of 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) is C10H18N2O5S.
What is the molecular weight of 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)?
The molecular weight of 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) is 278.09 g/mol.
Where can I buy 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)?
You can request a quote for 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) 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, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, 2-methoxy-N1,N1,5-trimethyl-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.