EINECS 236-940-5
TL;DR: EINECS 236-940-5 (CAS 13555-64-1) is a chemical compound with molecular formula C26H22N6O5 and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate
Also Known As: 2-[(2-CYANOETHYL)[4-[(2-CYANO-4-NITROPHENYL)AZO]PHENYL]AMINO]ETHYL PHENOXYACETATE, 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate, 2-[(2-cyanoethyl){4-[(e)-(2-cyano-4-nitrophenyl)diazenyl]phenyl}amino]ethyl phenoxyacetate, 2-((2-Cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethylphenoxyacetate, 2-({4-[2-(2-cyano-4-nitrophenyl)diazen-1-yl]phenyl}(2-cyanoethyl)amino)ethyl 2-phenoxyacetate
| Molecular Formula | C26H22N6O5 |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 498.16516 |
| Heavy Atoms | 37 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 13555-64-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N |
| InChIKey | NNTORMOUOAPPSO-UHFFFAOYSA-N |
Product Overview
EINECS 236-940-5 (CAS 13555-64-1), with molecular formula C26H22N6O5 and molecular weight 498.17 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate.
Chemical Property Profile of EINECS 236-940-5
Property Insights of EINECS 236-940-5
The XLogP value of 4.6 indicates that EINECS 236-940-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting EINECS 236-940-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 236-940-5 has 0 hydrogen bond donor(s) and 10 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 236-940-5?
The CAS number of EINECS 236-940-5 is 13555-64-1.
What is the molecular formula of EINECS 236-940-5?
The molecular formula of EINECS 236-940-5 is C26H22N6O5.
What is the molecular weight of EINECS 236-940-5?
The molecular weight of EINECS 236-940-5 is 498.17 g/mol.
Where can I buy EINECS 236-940-5?
You can request a quote for EINECS 236-940-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 236-940-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 236-940-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.