1,4,8-Trioxaspiro(4.6)undecan-9-one
TL;DR: 1,4,8-Trioxaspiro(4.6)undecan-9-one (CAS 110674-74-3) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,9-trioxaspiro[4.6]undecan-8-one
Also Known As: 1,4,8-Trioxaspiro[4.6]undecan-9-one, 1,4,9-trioxaspiro[4.6]undecan-8-one, 1,4,8-Trioxaspiro[4.6]undeca-9-one, 1,4,8-Trioxaspiro(4.6)undecan-9-one, 1,4,8-trioxaspiro[4,6]-9-undecanone
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 110674-74-3 |
|---|---|
| SMILES | C1CC2(CCOC1=O)OCCO2 |
| InChIKey | JTSACWLMMPZTEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,8-Trioxaspiro(4.6)undecan-9-one (CAS 110674-74-3), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 1,4,9-trioxaspiro[4.6]undecan-8-one.
Chemical Property Profile of 1,4,8-Trioxaspiro(4.6)undecan-9-one
Property Insights of 1,4,8-Trioxaspiro(4.6)undecan-9-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,8-Trioxaspiro(4.6)undecan-9-one. With a topological polar surface area (TPSA) of 44.8 Ų, 1,4,8-Trioxaspiro(4.6)undecan-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,8-Trioxaspiro(4.6)undecan-9-one has 0 hydrogen bond donor(s) and 4 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 1,4,8-Trioxaspiro(4.6)undecan-9-one?
The CAS number of 1,4,8-Trioxaspiro(4.6)undecan-9-one is 110674-74-3.
What is the molecular formula of 1,4,8-Trioxaspiro(4.6)undecan-9-one?
The molecular formula of 1,4,8-Trioxaspiro(4.6)undecan-9-one is C8H12O4.
What is the molecular weight of 1,4,8-Trioxaspiro(4.6)undecan-9-one?
The molecular weight of 1,4,8-Trioxaspiro(4.6)undecan-9-one is 172.07 g/mol.
Where can I buy 1,4,8-Trioxaspiro(4.6)undecan-9-one?
You can request a quote for 1,4,8-Trioxaspiro(4.6)undecan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,8-Trioxaspiro(4.6)undecan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,8-Trioxaspiro(4.6)undecan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.