2-Acetyl-3,7-dimethylbenzo(b)thiophene
TL;DR: 2-Acetyl-3,7-dimethylbenzo(b)thiophene (CAS 6179-06-2) is a chemical compound with molecular formula C12H12OS and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,7-dimethyl-1-benzothiophen-2-yl)ethanone
Also Known As: 2-Acetyl-3,7-dimethylbenzo(b)thiophene, 1-(3,7-dimethylbenzo[b]thiophen-2-yl)ethanone, 1-(3,7-dimethyl-1-benzothiophen-2-yl)ethanone, 1-(3,7-dimethyl-1-benzothiophen-2-yl)ethan-1-one, 2-Acetyl-3,7-dimethylbenzo[b]thiophene
| Molecular Formula | C12H12OS |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.06088 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 6179-06-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(S2)C(=O)C)C |
| InChIKey | BPCHHUKWYHUXOD-UHFFFAOYSA-N |
Product Overview
2-Acetyl-3,7-dimethylbenzo(b)thiophene (CAS 6179-06-2), with molecular formula C12H12OS and molecular weight 204.06 g/mol. IUPAC: 1-(3,7-dimethyl-1-benzothiophen-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-3,7-dimethylbenzo(b)thiophene
Property Insights of 2-Acetyl-3,7-dimethylbenzo(b)thiophene
The XLogP value of 3.7 indicates that 2-Acetyl-3,7-dimethylbenzo(b)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Acetyl-3,7-dimethylbenzo(b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3,7-dimethylbenzo(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 2-Acetyl-3,7-dimethylbenzo(b)thiophene?
The CAS number of 2-Acetyl-3,7-dimethylbenzo(b)thiophene is 6179-06-2.
What is the molecular formula of 2-Acetyl-3,7-dimethylbenzo(b)thiophene?
The molecular formula of 2-Acetyl-3,7-dimethylbenzo(b)thiophene is C12H12OS.
What is the molecular weight of 2-Acetyl-3,7-dimethylbenzo(b)thiophene?
The molecular weight of 2-Acetyl-3,7-dimethylbenzo(b)thiophene is 204.06 g/mol.
Where can I buy 2-Acetyl-3,7-dimethylbenzo(b)thiophene?
You can request a quote for 2-Acetyl-3,7-dimethylbenzo(b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3,7-dimethylbenzo(b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3,7-dimethylbenzo(b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.