C.I. Basic Yellow 90
TL;DR: C.I. Basic Yellow 90 (CAS 71550-24-8) is a chemical compound with molecular formula C24H30ClN3O2 and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium chloride
Also Known As: C.I. Basic Yellow 90, 2-[3-[4-[Benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium;chloride, [2-[[2-Cyano-3-[4-[ethylbenzylamino]phenyl]-1-oxoallyl]oxy]ethyl]trimethylammonium chloride, 2-[(3-{4-[Benzyl(ethyl)amino]phenyl}-2-cyanoprop-2-enoyl)oxy]-N,N,N-trimethylethan-1-aminium chloride, 2-[(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium,chloride
| Molecular Formula | C24H30ClN3O2 |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 0.87348 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.20267 |
| Heavy Atoms | 30 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 71550-24-8 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=C(C#N)C(=O)OCC[N+](C)(C)C.[Cl-] |
| InChIKey | GTKFSJLRKKMBFK-UHFFFAOYSA-M |
Product Overview
C.I. Basic Yellow 90 (CAS 71550-24-8), with molecular formula C24H30ClN3O2 and molecular weight 427.20 g/mol. IUPAC: 2-[3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium chloride.
Chemical Property Profile of C.I. Basic Yellow 90
Property Insights of C.I. Basic Yellow 90
The XLogP value of 0.87348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Basic Yellow 90. With a topological polar surface area (TPSA) of 53.3 Ų, C.I. Basic Yellow 90 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C.I. Basic Yellow 90 has 0 hydrogen bond donor(s) and 5 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 C.I. Basic Yellow 90?
The CAS number of C.I. Basic Yellow 90 is 71550-24-8.
What is the molecular formula of C.I. Basic Yellow 90?
The molecular formula of C.I. Basic Yellow 90 is C24H30ClN3O2.
What is the molecular weight of C.I. Basic Yellow 90?
The molecular weight of C.I. Basic Yellow 90 is 427.20 g/mol.
Where can I buy C.I. Basic Yellow 90?
You can request a quote for C.I. Basic Yellow 90 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Basic Yellow 90?
Yes, KEHONG BIO provides custom synthesis services for C.I. Basic Yellow 90 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.