EINECS 279-101-9
TL;DR: EINECS 279-101-9 (CAS 79154-84-0) is a chemical compound with molecular formula C20H19Cl2N5O4 and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
Also Known As: EINECS 279-101-9, 2-(N-(2-Cyanoethyl)-4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylanilino)ethyl acetate, 2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylanilino]ethyl acetate, 2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate, 2-[2-cyanoethyl-[4-(2,6-dichloro-4-nitrophenyl)diazenyl-3-methylphenyl]amino]ethyl acetate
| Molecular Formula | C20H19Cl2N5O4 |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 5.9086 |
| Topological Polar Surface Area | 121.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.08142 |
| Heavy Atoms | 31 |
| Complexity | 1029.3462 |
Chemical Identifiers
| CAS Number | 79154-84-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl |
Product Overview
EINECS 279-101-9 (CAS 79154-84-0), with molecular formula C20H19Cl2N5O4 and molecular weight 463.08 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate.
Chemical Property Profile of EINECS 279-101-9
Property Insights of EINECS 279-101-9
The XLogP value of 5.9086 indicates that EINECS 279-101-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.19 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 279-101-9. Following Lipinski's Rule of Five, EINECS 279-101-9 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-101-9?
The CAS number of EINECS 279-101-9 is 79154-84-0.
What is the molecular formula of EINECS 279-101-9?
The molecular formula of EINECS 279-101-9 is C20H19Cl2N5O4.
What is the molecular weight of EINECS 279-101-9?
The molecular weight of EINECS 279-101-9 is 463.08 g/mol.
Where can I buy EINECS 279-101-9?
You can request a quote for EINECS 279-101-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-101-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-101-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.