![Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate structure](/static/products/1489/14897-93-9.webp)
Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate
TL;DR: Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate (CAS 14897-93-9) is a chemical compound with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzoate
Also Known As: sinapinic acid/H2, Maybridge1_000755, ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate, A0737/0034383, ethyl 4-[(3,5-dichloro-2-hydroxybenzylidene)amino]benzoate
| Molecular Formula | C16H13Cl2NO3 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02725 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 14897-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C(=CC(=C2)Cl)Cl)O |
| InChIKey | OMIYGSQXMPMWIY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate (CAS 14897-93-9), with molecular formula C16H13Cl2NO3 and molecular weight 337.03 g/mol. IUPAC: ethyl 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzoate.
Chemical Property Profile of Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate
Property Insights of Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate
The XLogP value of 4.3 indicates that Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate has 1 hydrogen bond donor(s) and 4 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 Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate?
The CAS number of Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate is 14897-93-9.
What is the molecular formula of Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate?
The molecular formula of Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate is C16H13Cl2NO3.
What is the molecular weight of Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate?
The molecular weight of Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate is 337.03 g/mol.
Where can I buy Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate?
You can request a quote for Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]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-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.