![(2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one structure](/static/products/327/327104-14-3.png)
(2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one
TL;DR: (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one (CAS 327104-14-3) is a chemical compound with molecular formula C16H12BrNOS and molecular weight 344.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol
Also Known As: ChemDiv1_004544, (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one, 2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one, (2Z)-2-[1-(4-bromoanilino)ethylidene]benzothiophen-3-one, 2-[1-(4-Bromo-phenylamino)-eth-(Z)-ylidene]-benzo[b]thiophen-3-one
| Molecular Formula | C16H12BrNOS |
|---|---|
| Molecular Weight | 344.98 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.9823 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 327104-14-3 |
|---|---|
| SMILES | CC(=NC1=CC=C(C=C1)Br)C2=C(C3=CC=CC=C3S2)O |
| InChIKey | CBHRLZCFSLCIPK-UHFFFAOYSA-N |
Product Overview
(2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one (CAS 327104-14-3), with molecular formula C16H12BrNOS and molecular weight 344.98 g/mol. IUPAC: 2-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol.
Chemical Property Profile of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one
Property Insights of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one
The XLogP value of 5.1 indicates that (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one. Following Lipinski's Rule of Five, (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one?
The CAS number of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one is 327104-14-3.
What is the molecular formula of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one?
The molecular formula of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one is C16H12BrNOS.
What is the molecular weight of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one?
The molecular weight of (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one is 344.98 g/mol.
Where can I buy (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one?
You can request a quote for (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[1-(4-bromoanilino)ethylidene]-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.