Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one
TL;DR: Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one (CAS 56933-74-5) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2-benzofuran-3,1'-cyclohexane]-1-one
Also Known As: NCIOpen2_004766, 3h-spiro[2-benzofuran-1,1'-cyclohexan]-3-one, FZMWHYVNDOPIPA-UHFFFAOYSA-, Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one, 3'H-spiro[cyclohexane-1,1'-isobenzofuran]-3'-one
| Molecular Formula | C13H14O2 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.09938 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 56933-74-5 |
|---|---|
| SMILES | C1CCC2(CC1)C3=CC=CC=C3C(=O)O2 |
| InChIKey | FZMWHYVNDOPIPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one (CAS 56933-74-5), with molecular formula C13H14O2 and molecular weight 202.10 g/mol. IUPAC: spiro[2-benzofuran-3,1'-cyclohexane]-1-one.
Chemical Property Profile of Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one
Property Insights of Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one. With a topological polar surface area (TPSA) of 26.3 Ų, Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-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-1,1'(3'H)-isobenzofuran)-3'-one?
The CAS number of Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one is 56933-74-5.
What is the molecular formula of Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one?
The molecular formula of Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one is C13H14O2.
What is the molecular weight of Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one?
The molecular weight of Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one is 202.10 g/mol.
Where can I buy Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one?
You can request a quote for Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-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'(3'H)-isobenzofuran)-3'-one?
Yes, KEHONG BIO provides custom synthesis services for Spiro(cyclohexane-1,1'(3'H)-isobenzofuran)-3'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.