![Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate structure](/static/products/6790/67905-18-4.webp)
Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate
TL;DR: Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate (CAS 67905-18-4) is a chemical compound with molecular formula C31H27N3O6 and molecular weight 537.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-benzoyloxyethyl)-4-(1,2-dicyano-3-ethoxy-3-oxoprop-1-enyl)anilino]ethyl benzoate
Also Known As: Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate, Ethyl 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyanoacrylate, 2-Propenoic acid, 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyano-, ethyl ester, 2-Propenoic acid, 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyano-, ethyl ester, p-(Bis(2-hydroxyethyl)amino)-alpha,beta-dicyanocinnamic acid, ethyl ester, dibenzoate
| Molecular Formula | C31H27N3O6 |
|---|---|
| Molecular Weight | 537.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 537.19 |
| Heavy Atoms | 40 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 67905-18-4 |
|---|---|
| SMILES | CCOC(=O)C(=C(C#N)C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)C#N |
| InChIKey | OWKBILOEFQPKBZ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate (CAS 67905-18-4), with molecular formula C31H27N3O6 and molecular weight 537.19 g/mol. IUPAC: 2-[N-(2-benzoyloxyethyl)-4-(1,2-dicyano-3-ethoxy-3-oxoprop-1-enyl)anilino]ethyl benzoate.
Chemical Property Profile of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate
Property Insights of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate
The XLogP value of 5.2 indicates that Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate. Following Lipinski's Rule of Five, Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate?
The CAS number of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate is 67905-18-4.
What is the molecular formula of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate?
The molecular formula of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate is C31H27N3O6.
What is the molecular weight of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate?
The molecular weight of Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate is 537.19 g/mol.
Where can I buy Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate?
You can request a quote for Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.