Basic Yellow,benzoic acid lake
TL;DR: Basic Yellow,benzoic acid lake (CAS 68072-51-5) is a chemical compound with molecular formula C26H33N3O4 and molecular weight 451.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-trimethylazanium benzoate
Also Known As: Basic Yellow,benzoic acid lake, Ethanaminium, 2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]-N,N,N-trimethyl-, benzoate, 2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]trimethylammonium benzoate, Ethanaminium, 2-((2-cyano-3-(4-(diethylamino)phenyl)-1-oxo-2-propen-1-yl)oxy)-N,N,N-trimethyl-, benzoate (1:1), Ethanaminium, 2-((2-cyano-3-(4-(diethylamino)phenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, benzoate
| Molecular Formula | C26H33N3O4 |
|---|---|
| Molecular Weight | 451.25 g/mol |
| LogP | 2.74 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.2471 |
| Heavy Atoms | 33 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 68072-51-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | MDPBZXSFUKWDCM-UHFFFAOYSA-M |
Product Overview
Basic Yellow,benzoic acid lake (CAS 68072-51-5), with molecular formula C26H33N3O4 and molecular weight 451.25 g/mol. IUPAC: 2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-trimethylazanium benzoate.
Chemical Property Profile of Basic Yellow,benzoic acid lake
Property Insights of Basic Yellow,benzoic acid lake
The XLogP value of 2.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Basic Yellow,benzoic acid lake. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Basic Yellow,benzoic acid lake. Following Lipinski's Rule of Five, Basic Yellow,benzoic acid lake has 0 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 Basic Yellow,benzoic acid lake?
The CAS number of Basic Yellow,benzoic acid lake is 68072-51-5.
What is the molecular formula of Basic Yellow,benzoic acid lake?
The molecular formula of Basic Yellow,benzoic acid lake is C26H33N3O4.
What is the molecular weight of Basic Yellow,benzoic acid lake?
The molecular weight of Basic Yellow,benzoic acid lake is 451.25 g/mol.
Where can I buy Basic Yellow,benzoic acid lake?
You can request a quote for Basic Yellow,benzoic acid lake directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic Yellow,benzoic acid lake?
Yes, KEHONG BIO provides custom synthesis services for Basic Yellow,benzoic acid lake and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.