![6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one structure](/static/products/783/78388-98-4.png)
6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one
TL;DR: 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one (CAS 78388-98-4) is a chemical compound with molecular formula C13H16OS and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[5,6-dihydro-1-benzothiophene-7,1'-cyclohexane]-4-one
Also Known As: AP-836/41220104, 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one, spiro[5,6-dihydro-1-benzothiophene-7,1'-cyclohexane]-4-one
| Molecular Formula | C13H16OS |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 3.9265 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.0922 |
| Heavy Atoms | 15 |
| Complexity | 384.99515 |
Chemical Identifiers
| CAS Number | 78388-98-4 |
|---|---|
| SMILES | C1CCC2(CC1)CCC(=O)C3=C2SC=C3 |
Product Overview
6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one (CAS 78388-98-4), with molecular formula C13H16OS and molecular weight 220.09 g/mol. IUPAC: spiro[5,6-dihydro-1-benzothiophene-7,1'-cyclohexane]-4-one.
Chemical Property Profile of 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one
Property Insights of 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one
The XLogP value of 3.9265 indicates that 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-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 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
The CAS number of 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one is 78388-98-4.
What is the molecular formula of 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
The molecular formula of 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one is C13H16OS.
What is the molecular weight of 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
The molecular weight of 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one is 220.09 g/mol.
Where can I buy 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
You can request a quote for 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.