ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met
TL;DR: ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met (CAS 69459-58-1) is a chemical compound with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met, BENZO[B]THIOPHENE-3-CARBOXYLIC ACID,2-[[(5-BROMO-2-HYDROXYPHENYL)METHYLENE]AMINO]-4,5,6,7-TETRAHYDRO-,ETHYL ESTER
| Molecular Formula | C18H18BrNO3S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.01907 |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 69459-58-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=C(C=CC(=C3)Br)O |
| InChIKey | BGZUNEWFFZHVSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met (CAS 69459-58-1), with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol. IUPAC: ethyl 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met
Property Insights of ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met
The XLogP value of 5.0 indicates that ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met. Following Lipinski's Rule of Five, ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met has 1 hydrogen bond donor(s) and 5 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 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met?
The CAS number of ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met is 69459-58-1.
What is the molecular formula of ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met?
The molecular formula of ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met is C18H18BrNO3S.
What is the molecular weight of ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met?
The molecular weight of ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met is 407.02 g/mol.
Where can I buy ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met?
You can request a quote for ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[(E)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)met and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.