EINECS 251-330-9
TL;DR: EINECS 251-330-9 (CAS 1246473-83-5) is a chemical compound with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-methylbenzenesulfonate
Also Known As: EINECS 251-330-9, Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), Pyridinium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), 2-(4-(Dimethylamino)styryl)-1-methylpyridin-1-ium tosylate, Pyridinium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1-methyl-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C23H26N2O3S |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 3.64662 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.1664 |
| Heavy Atoms | 29 |
| Complexity | 1056.0369 |
Chemical Identifiers
| CAS Number | 1246473-83-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C |
Product Overview
EINECS 251-330-9 (CAS 1246473-83-5), with molecular formula C23H26N2O3S and molecular weight 410.17 g/mol. IUPAC: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-methylbenzenesulfonate.
Chemical Property Profile of EINECS 251-330-9
Property Insights of EINECS 251-330-9
The XLogP value of 3.64662 indicates that EINECS 251-330-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 251-330-9. Following Lipinski's Rule of Five, EINECS 251-330-9 has 0 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 EINECS 251-330-9?
The CAS number of EINECS 251-330-9 is 1246473-83-5.
What is the molecular formula of EINECS 251-330-9?
The molecular formula of EINECS 251-330-9 is C23H26N2O3S.
What is the molecular weight of EINECS 251-330-9?
The molecular weight of EINECS 251-330-9 is 410.17 g/mol.
Where can I buy EINECS 251-330-9?
You can request a quote for EINECS 251-330-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 251-330-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 251-330-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.