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13-Oxadispiro[5.0.5.1]tridecan-1-one
TL;DR: 13-Oxadispiro[5.0.5.1]tridecan-1-one (CAS 26870-38-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-oxadispiro[5.0.57.16]tridecan-12-one
Also Known As: 13-Oxadispiro[5.0.5.1]tridecan-1-one, 13-Oxadispiro(5.0.5.1)tridecan-1-one, 13-oxa-dispiro[5.0.5.1]tridecan-1-one, 13-oxadispiro[5.0.57.16]tridecan-1-one, 13-Oxadispiro[5.0.5~7~.1~6~]tridecan-1-one
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 26870-38-2 |
|---|---|
| SMILES | C1CCC2(CC1)C3(O2)CCCCC3=O |
| InChIKey | LZUBZAVSRCTXLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
13-Oxadispiro[5.0.5.1]tridecan-1-one (CAS 26870-38-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 13-oxadispiro[5.0.57.16]tridecan-12-one.
Chemical Property Profile of 13-Oxadispiro[5.0.5.1]tridecan-1-one
Property Insights of 13-Oxadispiro[5.0.5.1]tridecan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Oxadispiro[5.0.5.1]tridecan-1-one. With a topological polar surface area (TPSA) of 29.6 Ų, 13-Oxadispiro[5.0.5.1]tridecan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Oxadispiro[5.0.5.1]tridecan-1-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 13-Oxadispiro[5.0.5.1]tridecan-1-one?
The CAS number of 13-Oxadispiro[5.0.5.1]tridecan-1-one is 26870-38-2.
What is the molecular formula of 13-Oxadispiro[5.0.5.1]tridecan-1-one?
The molecular formula of 13-Oxadispiro[5.0.5.1]tridecan-1-one is C12H18O2.
What is the molecular weight of 13-Oxadispiro[5.0.5.1]tridecan-1-one?
The molecular weight of 13-Oxadispiro[5.0.5.1]tridecan-1-one is 194.13 g/mol.
Where can I buy 13-Oxadispiro[5.0.5.1]tridecan-1-one?
You can request a quote for 13-Oxadispiro[5.0.5.1]tridecan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Oxadispiro[5.0.5.1]tridecan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 13-Oxadispiro[5.0.5.1]tridecan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.