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Spiro[4.4]nonan-1-one
TL;DR: Spiro[4.4]nonan-1-one (CAS 14727-58-3) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[4.4]nonan-4-one
Also Known As: Spiro[4.4]nonan-1-one, spiro[4.4]nonan-4-one, Cyclopentanspirobutyrolactam, spiro(4.4)nonan-1-one, spiro[4.4]nonan-9-one
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 14727-58-3 |
|---|---|
| SMILES | C1CCC2(C1)CCCC2=O |
| InChIKey | QRYJGVNQNLCGGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiro[4.4]nonan-1-one (CAS 14727-58-3), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: spiro[4.4]nonan-4-one.
Chemical Property Profile of Spiro[4.4]nonan-1-one
Property Insights of Spiro[4.4]nonan-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[4.4]nonan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, Spiro[4.4]nonan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[4.4]nonan-1-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[4.4]nonan-1-one?
The CAS number of Spiro[4.4]nonan-1-one is 14727-58-3.
What is the molecular formula of Spiro[4.4]nonan-1-one?
The molecular formula of Spiro[4.4]nonan-1-one is C9H14O.
What is the molecular weight of Spiro[4.4]nonan-1-one?
The molecular weight of Spiro[4.4]nonan-1-one is 138.10 g/mol.
Where can I buy Spiro[4.4]nonan-1-one?
You can request a quote for Spiro[4.4]nonan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro[4.4]nonan-1-one?
Yes, KEHONG BIO provides custom synthesis services for Spiro[4.4]nonan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.