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Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one
TL;DR: Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one (CAS 26912-64-1) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[4H-isochromene-3,1'-cyclohexane]-1-one
Also Known As: spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one, spiro[4H-isochromene-3,1'-cyclohexane]-1-one, Spiro[isochroman-3,1 -cyclohexane]-1-one, Spiro[[2]benzopyran-3,1'-cyclohexan]-1(4H)-one, 1,4-dihydrospiro[2-benzopyran-3,1'-cyclohexan]-1-one
| Molecular Formula | C14H16O2 |
|---|---|
| Molecular Weight | 216.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.11504 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 26912-64-1 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C(=O)O2 |
| InChIKey | IHIMQESWAIGVLZ-UHFFFAOYSA-N |
Product Overview
Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one (CAS 26912-64-1), with molecular formula C14H16O2 and molecular weight 216.12 g/mol. IUPAC: spiro[4H-isochromene-3,1'-cyclohexane]-1-one.
Chemical Property Profile of Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one
Property Insights of Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one
The XLogP value of 3.4 indicates that Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-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 Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one?
The CAS number of Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one is 26912-64-1.
What is the molecular formula of Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one?
The molecular formula of Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one is C14H16O2.
What is the molecular weight of Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one?
The molecular weight of Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one is 216.12 g/mol.
Where can I buy Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one?
You can request a quote for Spiro[cyclohexane-1,3'-isochromen]-1'(4'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-1,3'-isochromen]-1'(4'h)-one?
Yes, KEHONG BIO provides custom synthesis services for Spiro[cyclohexane-1,3'-isochromen]-1'(4'h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.