EINECS 301-072-9
TL;DR: EINECS 301-072-9 (CAS 93980-92-8) is a chemical compound with molecular formula C19H19BrN6O8 and molecular weight 538.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
Also Known As: EINECS 301-072-9, 2-[[5-ACETAMIDO-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]AMINO]ETHYL ACETATE, 2-((5-Acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)amino)ethyl acetate, 2-[[5-acetamido-4-[ azo]-2-methoxyphenyl]amino]ethylacetate, 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
| Molecular Formula | C19H19BrN6O8 |
|---|---|
| Molecular Weight | 538.04 g/mol |
| LogP | 4.6229 |
| Topological Polar Surface Area | 187.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.0448 |
| Heavy Atoms | 34 |
| Complexity | 1169.9661 |
Chemical Identifiers
| CAS Number | 93980-92-8 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)NCCOC(=O)C |
Product Overview
EINECS 301-072-9 (CAS 93980-92-8), with molecular formula C19H19BrN6O8 and molecular weight 538.04 g/mol. IUPAC: 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate.
Chemical Property Profile of EINECS 301-072-9
Property Insights of EINECS 301-072-9
The XLogP value of 4.6229 indicates that EINECS 301-072-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.66 Ų indicates high polarity, suggesting EINECS 301-072-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 301-072-9 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 301-072-9?
The CAS number of EINECS 301-072-9 is 93980-92-8.
What is the molecular formula of EINECS 301-072-9?
The molecular formula of EINECS 301-072-9 is C19H19BrN6O8.
What is the molecular weight of EINECS 301-072-9?
The molecular weight of EINECS 301-072-9 is 538.04 g/mol.
Where can I buy EINECS 301-072-9?
You can request a quote for EINECS 301-072-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 301-072-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 301-072-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.