RefChem:552173
TL;DR: RefChem:552173 (CAS 72269-55-7) is a chemical compound with molecular formula C25H23N5O5 and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate
Also Known As: Acetic acid, phenoxy-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester, Acetic acid, phenoxy-, 2-((2-cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl ester, 2-((2-Cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl phenoxyacetate, Acetic acid, 2-phenoxy-, 2-((2-cyanoethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)ethyl ester, 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate
| Molecular Formula | C25H23N5O5 |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 473.16992 |
| Heavy Atoms | 35 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 72269-55-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OCCN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VIRORHJDLRRCJG-UHFFFAOYSA-N |
Product Overview
RefChem:552173 (CAS 72269-55-7), with molecular formula C25H23N5O5 and molecular weight 473.17 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate.
Chemical Property Profile of RefChem:552173
Property Insights of RefChem:552173
The XLogP value of 4.9 indicates that RefChem:552173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:552173. Following Lipinski's Rule of Five, RefChem:552173 has 0 hydrogen bond donor(s) and 9 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 RefChem:552173?
The CAS number of RefChem:552173 is 72269-55-7.
What is the molecular formula of RefChem:552173?
The molecular formula of RefChem:552173 is C25H23N5O5.
What is the molecular weight of RefChem:552173?
The molecular weight of RefChem:552173 is 473.17 g/mol.
Where can I buy RefChem:552173?
You can request a quote for RefChem:552173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:552173?
Yes, KEHONG BIO provides custom synthesis services for RefChem:552173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.