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Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate
TL;DR: Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate (CAS 37168-45-9) is a chemical compound with molecular formula C24H31NO3 and molecular weight 381.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate
Also Known As: ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate, Ethyl p-(p-pentyloxybenzylidene)aminobenzoate, ETHYL 4-[(E)-{[4-(OCTYLOXY)PHENYL]METHYLIDENE}AMINO]BENZOATE
| Molecular Formula | C24H31NO3 |
|---|---|
| Molecular Weight | 381.23 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 381.2304 |
| Heavy Atoms | 28 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 37168-45-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)OCC |
| InChIKey | HEHSIUWUXKPFCK-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate (CAS 37168-45-9), with molecular formula C24H31NO3 and molecular weight 381.23 g/mol. IUPAC: ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate.
Chemical Property Profile of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate
Property Insights of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate
The XLogP value of 6.8 indicates that Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate?
The CAS number of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate is 37168-45-9.
What is the molecular formula of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate?
The molecular formula of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate is C24H31NO3.
What is the molecular weight of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate?
The molecular weight of Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate is 381.23 g/mol.
Where can I buy Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate?
You can request a quote for Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-octoxyphenyl)methylideneamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.