![spiro[cyclohexane-1,1'-inden]-3'(2'H)-one structure](/static/products/3644/36449-72-6.webp)
spiro[cyclohexane-1,1'-inden]-3'(2'H)-one
TL;DR: spiro[cyclohexane-1,1'-inden]-3'(2'H)-one (CAS 36449-72-6) is a chemical compound with molecular formula C14H16O and molecular weight 200.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2H-indene-3,1'-cyclohexane]-1-one
Also Known As: spiro[cyclohexane-1,1'-inden]-3'(2'H)-one, spiro[2H-indene-3,1'-cyclohexane]-1-one, Indan-1-one, spiro-3-cyclohexane-, spiro[cyclohexane-1,3'-indane]-1'-one, BAS 00690967
| Molecular Formula | C14H16O |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.12012 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 36449-72-6 |
|---|---|
| SMILES | C1CCC2(CC1)CC(=O)C3=CC=CC=C23 |
| InChIKey | YJSHNXNGZFWVGO-UHFFFAOYSA-N |
Product Overview
spiro[cyclohexane-1,1'-inden]-3'(2'H)-one (CAS 36449-72-6), with molecular formula C14H16O and molecular weight 200.12 g/mol. IUPAC: spiro[2H-indene-3,1'-cyclohexane]-1-one.
Chemical Property Profile of spiro[cyclohexane-1,1'-inden]-3'(2'H)-one
Property Insights of spiro[cyclohexane-1,1'-inden]-3'(2'H)-one
The XLogP value of 3.9 indicates that spiro[cyclohexane-1,1'-inden]-3'(2'H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, spiro[cyclohexane-1,1'-inden]-3'(2'H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, spiro[cyclohexane-1,1'-inden]-3'(2'H)-one has 0 hydrogen bond donor(s) and 1 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 spiro[cyclohexane-1,1'-inden]-3'(2'H)-one?
The CAS number of spiro[cyclohexane-1,1'-inden]-3'(2'H)-one is 36449-72-6.
What is the molecular formula of spiro[cyclohexane-1,1'-inden]-3'(2'H)-one?
The molecular formula of spiro[cyclohexane-1,1'-inden]-3'(2'H)-one is C14H16O.
What is the molecular weight of spiro[cyclohexane-1,1'-inden]-3'(2'H)-one?
The molecular weight of spiro[cyclohexane-1,1'-inden]-3'(2'H)-one is 200.12 g/mol.
Where can I buy spiro[cyclohexane-1,1'-inden]-3'(2'H)-one?
You can request a quote for spiro[cyclohexane-1,1'-inden]-3'(2'H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for spiro[cyclohexane-1,1'-inden]-3'(2'H)-one?
Yes, KEHONG BIO provides custom synthesis services for spiro[cyclohexane-1,1'-inden]-3'(2'H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.