2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)
TL;DR: 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) (CAS 68239-12-3) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,3-N-bis(prop-2-enyl)quinoxaline-2,3-diamine;4-methylbenzenesulfonic acid
Also Known As: 2,3-Bis(allylamino)quinoxaline, p-toluenesulfonate (1:1), 2,3-Quinoxalinediamine, N,N'-di-2-propenyl-, mono(4-methylbenzenesulfonate), N,N'-Diallylquinoxaline-2,3-diamine monotoluene-p-sulphonate, 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1), n,n'-diallylquinoxaline-2,3-diamine 4-methylbenzenesulfonate(1:1)
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 4.07 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 68239-12-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C=CCNC1=NC2=CC=CC=C2N=C1NCC=C |
| InChIKey | FPYDDNRHDKVMTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) (CAS 68239-12-3), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: 2-N,3-N-bis(prop-2-enyl)quinoxaline-2,3-diamine;4-methylbenzenesulfonic acid.
Chemical Property Profile of 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)
Property Insights of 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)
The XLogP value of 4.07 indicates that 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (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 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)?
The CAS number of 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) is 68239-12-3.
What is the molecular formula of 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) is C21H24N4O3S.
What is the molecular weight of 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) is 412.16 g/mol.
Where can I buy 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Quinoxalinediamine, N2,N3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.