![2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one structure](/static/products/1388/1388003-15-3.webp)
2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one
TL;DR: 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one (CAS 1388003-15-3) is a chemical compound with molecular formula C15H10BrNOS and molecular weight 330.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)iminomethyl]-1-benzothiophen-3-ol
Also Known As: BAS 00795876, BIM-0030984.P001, 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one, 2-[(3-bromophenyl)iminomethyl]-1-benzothiophen-3-ol, AE-848/36048018
| Molecular Formula | C15H10BrNOS |
|---|---|
| Molecular Weight | 330.97 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.96664 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 1388003-15-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC(=CC=C3)Br)O |
| InChIKey | DDHYYWZOUPDUGW-UHFFFAOYSA-N |
Product Overview
2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one (CAS 1388003-15-3), with molecular formula C15H10BrNOS and molecular weight 330.97 g/mol. IUPAC: 2-[(3-bromophenyl)iminomethyl]-1-benzothiophen-3-ol.
Chemical Property Profile of 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one
Property Insights of 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one
The XLogP value of 4.9 indicates that 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-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 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one. Following Lipinski's Rule of Five, 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one has 1 hydrogen bond donor(s) and 3 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 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one?
The CAS number of 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one is 1388003-15-3.
What is the molecular formula of 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one?
The molecular formula of 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one is C15H10BrNOS.
What is the molecular weight of 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one?
The molecular weight of 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one is 330.97 g/mol.
Where can I buy 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one?
You can request a quote for 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Bromo-phenylamino)-methylene]-benzo[b]thiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.