![2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one structure](/static/products/887/887571-49-5.png)
2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one
TL;DR: 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one (CAS 887571-49-5) is a chemical compound with molecular formula C13H15ClOS and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorospiro[5,6-dihydro-1-benzothiophene-7,1'-cyclohexane]-4-one
Also Known As: 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one, AP-836/41220430, 2-chlorospiro[5,6-dihydro-1-benzothiophene-7,1'-cyclohexane]-4-one, 2-Chloro-5,6-dihydro-4H-spiro[benzo[b]thiophene-7,1'-cyclohexan]-4-one, 2-chlorospiro[5,6,7-trihydrobenzo[b]thiophene-7,1'-cyclohexane]-4-one
| Molecular Formula | C13H15ClOS |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 4.5799 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.0532 |
| Heavy Atoms | 16 |
| Complexity | 429.14102 |
Chemical Identifiers
| CAS Number | 887571-49-5 |
|---|---|
| SMILES | C1CCC2(CC1)CCC(=O)C3=C2SC(=C3)Cl |
Product Overview
2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one (CAS 887571-49-5), with molecular formula C13H15ClOS and molecular weight 254.05 g/mol. IUPAC: 2-chlorospiro[5,6-dihydro-1-benzothiophene-7,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one
Property Insights of 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one
The XLogP value of 4.5799 indicates that 2-chloro-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, 2-chloro-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, 2-chloro-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 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
The CAS number of 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one is 887571-49-5.
What is the molecular formula of 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
The molecular formula of 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one is C13H15ClOS.
What is the molecular weight of 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
The molecular weight of 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one is 254.05 g/mol.
Where can I buy 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
You can request a quote for 2-chloro-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 2-chloro-6,7-dihydrospiro[1-benzothiophene-7,1'-cyclohexane]-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-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.