RefChem:567201
TL;DR: RefChem:567201 (CAS 67923-49-3) is a chemical compound with molecular formula C22H25BrN6O9 and molecular weight 596.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]propanoate
Also Known As: .beta.-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-(2-hydroxyethyl)-, ethyl ester, 3-((5-Acetylamino-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)(2-hydroxyethyl)amino)propanoic acid, ethyl ester, beta-Alanine, N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl ester, beta-Alanine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(2-hydroxyethyl)-, ethyl ester, ETHYL N-[5-(ACETYLAMINO)-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]-N-(2-HYDROXYETHYL)-BETA-ALANINATE
| Molecular Formula | C22H25BrN6O9 |
|---|---|
| Molecular Weight | 596.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 596.0867 |
| Heavy Atoms | 38 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 67923-49-3 |
|---|---|
| SMILES | CCOC(=O)CCN(CCO)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | BEHWLVCTBALQPJ-UHFFFAOYSA-N |
Product Overview
RefChem:567201 (CAS 67923-49-3), with molecular formula C22H25BrN6O9 and molecular weight 596.09 g/mol. IUPAC: ethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-(2-hydroxyethyl)-2-methoxyanilino]propanoate.
Chemical Property Profile of RefChem:567201
Property Insights of RefChem:567201
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:567201. The TPSA of 204.0 Ų indicates high polarity, suggesting RefChem:567201 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567201 has 2 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:567201?
The CAS number of RefChem:567201 is 67923-49-3.
What is the molecular formula of RefChem:567201?
The molecular formula of RefChem:567201 is C22H25BrN6O9.
What is the molecular weight of RefChem:567201?
The molecular weight of RefChem:567201 is 596.09 g/mol.
Where can I buy RefChem:567201?
You can request a quote for RefChem:567201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567201?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.