RefChem:551752
TL;DR: RefChem:551752 (CAS 68391-47-9) is a chemical compound with molecular formula C22H24N6O9 and molecular weight 516.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2,4-dinitrophenyl)diazenyl]anilino]ethyl acetate
Also Known As: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2,4-dinitrophenyl)azo]phenyl]-, Acetanilide, 2-(2,4-dinitrophenylazo)-5-N,N-di-beta-acetoxyethylamino-, ({3-(acetylamino)-4-[(e)-(2,4-dinitrophenyl)diazenyl]phenyl}imino)diethane-2,1-diyl diacetate, 2,2'-[[3-acetamido-4-[ azo]phenyl]imino]diethyldiacetate, Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2,4-dinitrophenyl)azo)phenyl)-
| Molecular Formula | C22H24N6O9 |
|---|---|
| Molecular Weight | 516.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 516.16046 |
| Heavy Atoms | 37 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 68391-47-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FLCJGMFVUFLMTJ-UHFFFAOYSA-N |
Product Overview
RefChem:551752 (CAS 68391-47-9), with molecular formula C22H24N6O9 and molecular weight 516.16 g/mol. IUPAC: 2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2,4-dinitrophenyl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:551752
Property Insights of RefChem:551752
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:551752. The TPSA of 201.0 Ų indicates high polarity, suggesting RefChem:551752 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551752 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:551752?
The CAS number of RefChem:551752 is 68391-47-9.
What is the molecular formula of RefChem:551752?
The molecular formula of RefChem:551752 is C22H24N6O9.
What is the molecular weight of RefChem:551752?
The molecular weight of RefChem:551752 is 516.16 g/mol.
Where can I buy RefChem:551752?
You can request a quote for RefChem:551752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551752?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.