RefChem:869026
TL;DR: RefChem:869026 (CAS 15087-68-0) is a chemical compound with molecular formula C24H20ClN5O4 and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl benzoate
Also Known As: 2-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)anilino)ethyl benzoate, Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-, 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl benzoate, 2-[4-[(2-CHLORO-4-NITROPHENYL)AZO]-N-(2-CYANOETHYL)ANILINO]ETHYL BENZOATE, 3-(N-(2-(Benzoyloxy)ethyl)-p-((2-chloro-4-nitrophenyl)azo)anilino)propionitrile
| Molecular Formula | C24H20ClN5O4 |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 477.1204 |
| Heavy Atoms | 34 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 15087-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | GGZWNOLYDCKMNW-UHFFFAOYSA-N |
Product Overview
RefChem:869026 (CAS 15087-68-0), with molecular formula C24H20ClN5O4 and molecular weight 477.12 g/mol. IUPAC: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl benzoate.
Chemical Property Profile of RefChem:869026
Property Insights of RefChem:869026
The XLogP value of 5.5 indicates that RefChem:869026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869026. Following Lipinski's Rule of Five, RefChem:869026 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 RefChem:869026?
The CAS number of RefChem:869026 is 15087-68-0.
What is the molecular formula of RefChem:869026?
The molecular formula of RefChem:869026 is C24H20ClN5O4.
What is the molecular weight of RefChem:869026?
The molecular weight of RefChem:869026 is 477.12 g/mol.
Where can I buy RefChem:869026?
You can request a quote for RefChem:869026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869026?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.