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7-Methyl-4H-cyclohepta[b]thiophen-4-one
TL;DR: 7-Methyl-4H-cyclohepta[b]thiophen-4-one (CAS 63244-50-8) is a chemical compound with molecular formula C10H8OS and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylcyclohepta[b]thiophen-4-one
Also Known As: 7-methylcyclohepta[b]thiophen-4-one, 7-Methyl-4H-cyclohepta[b]thiophen-4-one
| Molecular Formula | C10H8OS |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.02959 |
| Heavy Atoms | 12 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 63244-50-8 |
|---|---|
| SMILES | CC1=CC2=C(C=CS2)C(=O)C=C1 |
| InChIKey | IIJTWTQNHRADAI-UHFFFAOYSA-N |
Product Overview
7-Methyl-4H-cyclohepta[b]thiophen-4-one (CAS 63244-50-8), with molecular formula C10H8OS and molecular weight 176.03 g/mol. IUPAC: 7-methylcyclohepta[b]thiophen-4-one.
Chemical Property Profile of 7-Methyl-4H-cyclohepta[b]thiophen-4-one
Property Insights of 7-Methyl-4H-cyclohepta[b]thiophen-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-4H-cyclohepta[b]thiophen-4-one. With a topological polar surface area (TPSA) of 45.3 Ų, 7-Methyl-4H-cyclohepta[b]thiophen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-4H-cyclohepta[b]thiophen-4-one 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 7-Methyl-4H-cyclohepta[b]thiophen-4-one?
The CAS number of 7-Methyl-4H-cyclohepta[b]thiophen-4-one is 63244-50-8.
What is the molecular formula of 7-Methyl-4H-cyclohepta[b]thiophen-4-one?
The molecular formula of 7-Methyl-4H-cyclohepta[b]thiophen-4-one is C10H8OS.
What is the molecular weight of 7-Methyl-4H-cyclohepta[b]thiophen-4-one?
The molecular weight of 7-Methyl-4H-cyclohepta[b]thiophen-4-one is 176.03 g/mol.
Where can I buy 7-Methyl-4H-cyclohepta[b]thiophen-4-one?
You can request a quote for 7-Methyl-4H-cyclohepta[b]thiophen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-4H-cyclohepta[b]thiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-4H-cyclohepta[b]thiophen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.