![2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one structure](/static/products/6385/63859-10-9.webp)
2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one
TL;DR: 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one (CAS 63859-10-9) 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-[(4-bromophenyl)iminomethyl]-1-benzothiophen-3-ol
Also Known As: TimTec1_007305, 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one, BAS 02054822, 2-[(4-bromophenyl)iminomethyl]-1-benzothiophen-3-ol, AB00710355-01
| 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 | 330.0 |
Chemical Identifiers
| CAS Number | 63859-10-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC=C(C=C3)Br)O |
| InChIKey | CEHVUHNUGSSJMR-UHFFFAOYSA-N |
Product Overview
2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one (CAS 63859-10-9), with molecular formula C15H10BrNOS and molecular weight 330.97 g/mol. IUPAC: 2-[(4-bromophenyl)iminomethyl]-1-benzothiophen-3-ol.
Chemical Property Profile of 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one
Property Insights of 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one
The XLogP value of 4.9 indicates that 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-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-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one. Following Lipinski's Rule of Five, 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-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-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one?
The CAS number of 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one is 63859-10-9.
What is the molecular formula of 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one?
The molecular formula of 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one is C15H10BrNOS.
What is the molecular weight of 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one?
The molecular weight of 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one is 330.97 g/mol.
Where can I buy 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one?
You can request a quote for 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-bromoanilino)methylene]-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.