![3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one structure](/static/products/3391/339114-31-7.webp)
3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one
TL;DR: 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one (CAS 339114-31-7) 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.
3-[(4-bromophenyl)iminomethyl]-2-benzothiophen-1-ol
Also Known As: 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one, 9K-003, 3-[(4-bromophenyl)iminomethyl]-2-benzothiophen-1-ol, (3Z)-3-{[(4-bromophenyl)amino]methylidene}-1,3-dihydro-2-benzothiophen-1-one, 3-[(4-bromoanilino)methylidene]-2-benzothiophen-1-one
| Molecular Formula | C15H10BrNOS |
|---|---|
| Molecular Weight | 330.97 g/mol |
| LogP | 5.12 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.96664 |
| Heavy Atoms | 19 |
| Complexity | 746.4315 |
Chemical Identifiers
| CAS Number | 339114-31-7 |
|---|---|
| SMILES | C1=CC2=C(SC(=C2C=C1)O)C=NC3=CC=C(C=C3)Br |
Product Overview
3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one (CAS 339114-31-7), with molecular formula C15H10BrNOS and molecular weight 330.97 g/mol. IUPAC: 3-[(4-bromophenyl)iminomethyl]-2-benzothiophen-1-ol.
Chemical Property Profile of 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one
Property Insights of 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one
The XLogP value of 5.12 indicates that 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-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 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one?
The CAS number of 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one is 339114-31-7.
What is the molecular formula of 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one?
The molecular formula of 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one is C15H10BrNOS.
What is the molecular weight of 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one?
The molecular weight of 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one is 330.97 g/mol.
Where can I buy 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one?
You can request a quote for 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromoanilino)methylene]-2-benzothiophen-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.