EINECS 285-780-2
TL;DR: EINECS 285-780-2 (CAS 85136-56-7) is a chemical compound with molecular formula C21H23N5O6 and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitrobenzoate
Also Known As: EINECS 285-780-2, 2-Methoxyethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate, 2-METHOXYETHYL 4-[[4-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-3-NITROBENZOATE, 2-methoxyethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitrobenzoate, 2-Methoxyethyl 4-({4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl}diazenyl)-3-nitrobenzoate
| Molecular Formula | C21H23N5O6 |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 3.52578 |
| Topological Polar Surface Area | 150.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 441.16483 |
| Heavy Atoms | 32 |
| Complexity | 987.16504 |
Chemical Identifiers
| CAS Number | 85136-56-7 |
|---|---|
| SMILES | COCCOC(=O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(CCC#N)CCO)[N+](=O)[O-] |
Product Overview
EINECS 285-780-2 (CAS 85136-56-7), with molecular formula C21H23N5O6 and molecular weight 441.16 g/mol. IUPAC: 2-methoxyethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitrobenzoate.
Chemical Property Profile of EINECS 285-780-2
Property Insights of EINECS 285-780-2
The XLogP value of 3.52578 indicates that EINECS 285-780-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.65 Ų indicates high polarity, suggesting EINECS 285-780-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 285-780-2 has 1 hydrogen bond donor(s) and 10 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 EINECS 285-780-2?
The CAS number of EINECS 285-780-2 is 85136-56-7.
What is the molecular formula of EINECS 285-780-2?
The molecular formula of EINECS 285-780-2 is C21H23N5O6.
What is the molecular weight of EINECS 285-780-2?
The molecular weight of EINECS 285-780-2 is 441.16 g/mol.
Where can I buy EINECS 285-780-2?
You can request a quote for EINECS 285-780-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 285-780-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 285-780-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.