![3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one structure](/static/products/3391/339114-99-7.webp)
3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one
TL;DR: 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one (CAS 339114-99-7) is a chemical compound with molecular formula C15H9Cl2NOS and molecular weight 320.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-dichlorophenyl)iminomethyl]-2-benzothiophen-1-ol
Also Known As: 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one, 9K-013, 3-[(2,5-dichlorophenyl)iminomethyl]-2-benzothiophen-1-ol, (3Z)-3-{[(2,5-dichlorophenyl)amino]methylidene}-1,3-dihydro-2-benzothiophen-1-one, 3-[(2,5-dichloroanilino)methylidene]-2-benzothiophen-1-one
| Molecular Formula | C15H9Cl2NOS |
|---|---|
| Molecular Weight | 320.98 g/mol |
| LogP | 5.6643 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.97818 |
| Heavy Atoms | 20 |
| Complexity | 810.7388 |
Chemical Identifiers
| CAS Number | 339114-99-7 |
|---|---|
| SMILES | C1=CC2=C(SC(=C2C=C1)O)C=NC3=C(C=CC(=C3)Cl)Cl |
Product Overview
3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one (CAS 339114-99-7), with molecular formula C15H9Cl2NOS and molecular weight 320.98 g/mol. IUPAC: 3-[(2,5-dichlorophenyl)iminomethyl]-2-benzothiophen-1-ol.
Chemical Property Profile of 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one
Property Insights of 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one
The XLogP value of 5.6643 indicates that 3-[(2,5-dichloroanilino)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-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,5-dichloroanilino)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-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one?
The CAS number of 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one is 339114-99-7.
What is the molecular formula of 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one?
The molecular formula of 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one is C15H9Cl2NOS.
What is the molecular weight of 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one?
The molecular weight of 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one is 320.98 g/mol.
Where can I buy 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one?
You can request a quote for 3-[(2,5-dichloroanilino)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-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,5-dichloroanilino)methylene]-2-benzothiophen-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.