RefChem:551766
TL;DR: RefChem:551766 (CAS 58049-96-0) is a chemical compound with molecular formula C22H25ClN6O6 and molecular weight 504.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Also Known As: Acetamide, N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-6-cyano-4-nitrophenyl)azo]-4-methoxyphenyl]-, N-[5-[bis amino]-2-[ azo]-4-methoxyphenyl]acetamide, 3-Acetylamino-4-(2-cyano-6-chloro-4-nitrophenylazo)-6-methoxy-N,N-bis(beta-methoxyethyl)aniline, Acetamide, N-(5-(bis(2-methoxyethyl)amino)-2-((2-chloro-6-cyano-4-nitrophenyl)azo)-4-methoxyphenyl)-, Acetamide, N-(5-(bis(2-methoxyethyl)amino)-2-(2-(2-chloro-6-cyano-4-nitrophenyl)diazenyl)-4-methoxyphenyl)-
| Molecular Formula | C22H25ClN6O6 |
|---|---|
| Molecular Weight | 504.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 504.1524 |
| Heavy Atoms | 35 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 58049-96-0 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])C#N)OC)N(CCOC)CCOC |
| InChIKey | MVVWURWLNQHWMV-UHFFFAOYSA-N |
Product Overview
RefChem:551766 (CAS 58049-96-0), with molecular formula C22H25ClN6O6 and molecular weight 504.15 g/mol. IUPAC: N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-4-methoxyphenyl]acetamide.
Chemical Property Profile of RefChem:551766
Property Insights of RefChem:551766
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:551766. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:551766 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551766 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:551766?
The CAS number of RefChem:551766 is 58049-96-0.
What is the molecular formula of RefChem:551766?
The molecular formula of RefChem:551766 is C22H25ClN6O6.
What is the molecular weight of RefChem:551766?
The molecular weight of RefChem:551766 is 504.15 g/mol.
Where can I buy RefChem:551766?
You can request a quote for RefChem:551766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551766?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.