Disperse Yellow 49
TL;DR: Disperse Yellow 49 (CAS 6858-49-7) is a chemical compound with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl N-phenylcarbamate
Also Known As: Disperse Yellow 49, Disperse Yellow SE-6GFL, C.I.Disperse Yellow 201, 2-[4-(2,2-dicyanovinyl)-N-ethyl-3-methylaniline]ethyl carbanilate, Propanedinitrile, [[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]methylene]-
| Molecular Formula | C22H22N4O2 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.1743 |
| Heavy Atoms | 28 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 6858-49-7 |
|---|---|
| SMILES | CCN(CCOC(=O)NC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C#N)C |
| InChIKey | KVQZMLBWGHLHTR-UHFFFAOYSA-N |
Product Overview
Disperse Yellow 49 (CAS 6858-49-7), with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol. IUPAC: 2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl N-phenylcarbamate.
Chemical Property Profile of Disperse Yellow 49
Property Insights of Disperse Yellow 49
The XLogP value of 4.1 indicates that Disperse Yellow 49 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Disperse Yellow 49. Following Lipinski's Rule of Five, Disperse Yellow 49 has 1 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 Disperse Yellow 49?
The CAS number of Disperse Yellow 49 is 6858-49-7.
What is the molecular formula of Disperse Yellow 49?
The molecular formula of Disperse Yellow 49 is C22H22N4O2.
What is the molecular weight of Disperse Yellow 49?
The molecular weight of Disperse Yellow 49 is 374.17 g/mol.
Where can I buy Disperse Yellow 49?
You can request a quote for Disperse Yellow 49 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disperse Yellow 49?
Yes, KEHONG BIO provides custom synthesis services for Disperse Yellow 49 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.