EINECS 285-956-9
TL;DR: EINECS 285-956-9 (CAS 85169-12-6) is a chemical compound with molecular formula C27H31N5O8 and molecular weight 553.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[bis(2-acetyloxyethyl)amino]-2-(propanoylamino)phenyl]diazenyl]-5-cyano-2-hydroxybenzoate
Also Known As: EINECS 285-956-9, Ethyl 4-((4-(bis(2-(acetyloxy)ethyl)amino)-2-((1-oxopropyl)amino)phenyl)azo)-5-cyanosalicylate, ethyl 4-[[4-[bis(2-acetyloxyethyl)amino]-2-(propanoylamino)phenyl]diazenyl]-5-cyano-2-hydroxybenzoate, ETHYL 4-[[4-[BIS[2-(ACETYLOXY)ETHYL]AMINO]-2-[(1-OXOPROPYL)AMINO]PHENYL]AZO]-5-CYANOSALICYLATE, ethyl4-[[4-[bis[2- ethyl]amino]-2-[ amino]phenyl]azo]-5-cyanosalicylate
| Molecular Formula | C27H31N5O8 |
|---|---|
| Molecular Weight | 553.22 g/mol |
| LogP | 4.13708 |
| Topological Polar Surface Area | 179.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 553.2173 |
| Heavy Atoms | 40 |
| Complexity | 1298.7327 |
Chemical Identifiers
| CAS Number | 85169-12-6 |
|---|---|
| SMILES | CCC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=CC(=C(C=C2C#N)C(=O)OCC)O |
Product Overview
EINECS 285-956-9 (CAS 85169-12-6), with molecular formula C27H31N5O8 and molecular weight 553.22 g/mol. IUPAC: ethyl 4-[[4-[bis(2-acetyloxyethyl)amino]-2-(propanoylamino)phenyl]diazenyl]-5-cyano-2-hydroxybenzoate.
Chemical Property Profile of EINECS 285-956-9
Property Insights of EINECS 285-956-9
The XLogP value of 4.13708 indicates that EINECS 285-956-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.98 Ų indicates high polarity, suggesting EINECS 285-956-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 285-956-9 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 EINECS 285-956-9?
The CAS number of EINECS 285-956-9 is 85169-12-6.
What is the molecular formula of EINECS 285-956-9?
The molecular formula of EINECS 285-956-9 is C27H31N5O8.
What is the molecular weight of EINECS 285-956-9?
The molecular weight of EINECS 285-956-9 is 553.22 g/mol.
Where can I buy EINECS 285-956-9?
You can request a quote for EINECS 285-956-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 285-956-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 285-956-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.