![4-(Benzo[b]thiophen-2-yl)aniline structure](/static/products/5449/54492-95-4.webp)
4-(Benzo[b]thiophen-2-yl)aniline
TL;DR: 4-(Benzo[b]thiophen-2-yl)aniline (CAS 54492-95-4) is a chemical compound with molecular formula C14H11NS and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-benzothiophen-2-yl)aniline
Also Known As: 4-(Benzo[b]thiophen-2-yl)aniline, 4-benzothiophen-2-ylaniline, 4-(1-Benzothien-2-yl)aniline, 4-Benzo[b]thien-2-ylaniline, 4-Benzo[b]thien-2-ylbenzenamine
| Molecular Formula | C14H11NS |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 4.1505 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.06122 |
| Heavy Atoms | 16 |
| Complexity | 589.53534 |
Chemical Identifiers
| CAS Number | 54492-95-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=CC=C(C=C3)N |
Product Overview
4-(Benzo[b]thiophen-2-yl)aniline (CAS 54492-95-4), with molecular formula C14H11NS and molecular weight 225.06 g/mol. IUPAC: 4-(1-benzothiophen-2-yl)aniline.
Chemical Property Profile of 4-(Benzo[b]thiophen-2-yl)aniline
Property Insights of 4-(Benzo[b]thiophen-2-yl)aniline
The XLogP value of 4.1505 indicates that 4-(Benzo[b]thiophen-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(Benzo[b]thiophen-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzo[b]thiophen-2-yl)aniline has 1 hydrogen bond donor(s) and 2 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 4-(Benzo[b]thiophen-2-yl)aniline?
The CAS number of 4-(Benzo[b]thiophen-2-yl)aniline is 54492-95-4.
What is the molecular formula of 4-(Benzo[b]thiophen-2-yl)aniline?
The molecular formula of 4-(Benzo[b]thiophen-2-yl)aniline is C14H11NS.
What is the molecular weight of 4-(Benzo[b]thiophen-2-yl)aniline?
The molecular weight of 4-(Benzo[b]thiophen-2-yl)aniline is 225.06 g/mol.
Where can I buy 4-(Benzo[b]thiophen-2-yl)aniline?
You can request a quote for 4-(Benzo[b]thiophen-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzo[b]thiophen-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzo[b]thiophen-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.