![5-Fluoro-3-methyl-benzo[b]thiophene structure](/static/products/1751/17514-63-5.webp)
5-Fluoro-3-methyl-benzo[b]thiophene
TL;DR: 5-Fluoro-3-methyl-benzo[b]thiophene (CAS 17514-63-5) is a chemical compound with molecular formula C9H7FS and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-3-methyl-1-benzothiophene
Also Known As: 5-fluoro-3-methylbenzo[b]thiophene, 5-Fluoro-3-methyl-1-benzothiophene, Benzo[b]thiophene, 5-fluoro-3-methyl-, 5-fluoro-3-methylthianaphthene, 5-Fluoro-3-methylbenzothiophene
| Molecular Formula | C9H7FS |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.02525 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 17514-63-5 |
|---|---|
| SMILES | CC1=CSC2=C1C=C(C=C2)F |
| InChIKey | ARYSXQXKEJNADL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-3-methyl-benzo[b]thiophene (CAS 17514-63-5), with molecular formula C9H7FS and molecular weight 166.03 g/mol. IUPAC: 5-fluoro-3-methyl-1-benzothiophene.
Chemical Property Profile of 5-Fluoro-3-methyl-benzo[b]thiophene
Property Insights of 5-Fluoro-3-methyl-benzo[b]thiophene
The XLogP value of 3.4 indicates that 5-Fluoro-3-methyl-benzo[b]thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 5-Fluoro-3-methyl-benzo[b]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-3-methyl-benzo[b]thiophene has 0 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 5-Fluoro-3-methyl-benzo[b]thiophene?
The CAS number of 5-Fluoro-3-methyl-benzo[b]thiophene is 17514-63-5.
What is the molecular formula of 5-Fluoro-3-methyl-benzo[b]thiophene?
The molecular formula of 5-Fluoro-3-methyl-benzo[b]thiophene is C9H7FS.
What is the molecular weight of 5-Fluoro-3-methyl-benzo[b]thiophene?
The molecular weight of 5-Fluoro-3-methyl-benzo[b]thiophene is 166.03 g/mol.
Where can I buy 5-Fluoro-3-methyl-benzo[b]thiophene?
You can request a quote for 5-Fluoro-3-methyl-benzo[b]thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-3-methyl-benzo[b]thiophene?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-3-methyl-benzo[b]thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.