EINECS 280-318-6
TL;DR: EINECS 280-318-6 (CAS 83249-48-3) is a chemical compound with molecular formula C21H22N6O3 and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
Also Known As: EINECS 280-318-6, 2-[[4-[BUTYL(2-HYDROXYETHYL)AMINO]-2-METHYLPHENYL]AZO]-5-NITROBENZENE-1,3-DICARBONITRILE, 2-((4-(Butyl(2-hydroxyethyl)amino)-2-methylphenyl)azo)-5-nitrobenzene-1,3-dicarbonitrile, 1,3-Benzenedicarbonitrile, 2-((4-(butyl(2-hydroxyethyl)amino)-2-methylphenyl)azo)-5-nitro-, 2-[[4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile
| Molecular Formula | C21H22N6O3 |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 4.66078 |
| Topological Polar Surface Area | 138.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.17532 |
| Heavy Atoms | 30 |
| Complexity | 1001.00793 |
Chemical Identifiers
| CAS Number | 83249-48-3 |
|---|---|
| SMILES | CCCCN(CCO)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C |
Product Overview
EINECS 280-318-6 (CAS 83249-48-3), with molecular formula C21H22N6O3 and molecular weight 406.18 g/mol. IUPAC: 2-[[4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile.
Chemical Property Profile of EINECS 280-318-6
Property Insights of EINECS 280-318-6
The XLogP value of 4.66078 indicates that EINECS 280-318-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.91 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 280-318-6. Following Lipinski's Rule of Five, EINECS 280-318-6 has 1 hydrogen bond donor(s) and 8 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 280-318-6?
The CAS number of EINECS 280-318-6 is 83249-48-3.
What is the molecular formula of EINECS 280-318-6?
The molecular formula of EINECS 280-318-6 is C21H22N6O3.
What is the molecular weight of EINECS 280-318-6?
The molecular weight of EINECS 280-318-6 is 406.18 g/mol.
Where can I buy EINECS 280-318-6?
You can request a quote for EINECS 280-318-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 280-318-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 280-318-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.