![1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one structure](/static/products/5869/58699-62-0.webp)
1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one
TL;DR: 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one (CAS 58699-62-0) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetracyclo[6.3.0.02,6.05,9]undec-10-en-3-one
Also Known As: KST-1B5938, 1,2,3,3a,4,6a-hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one, J1.004.660B, tetracyclo[6.3.0.02,6.05,9]undec-10-en-3-one, tetracyclo[6.3.0.04,11.05,9]undec-6-en-2-one
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 58699-62-0 |
|---|---|
| SMILES | C1C2C3CC(=O)C2C4C1C3C=C4 |
| InChIKey | QNAPZDCXGCMLPG-UHFFFAOYSA-N |
Product Overview
1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one (CAS 58699-62-0), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: tetracyclo[6.3.0.02,6.05,9]undec-10-en-3-one.
Chemical Property Profile of 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one
Property Insights of 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-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 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one?
The CAS number of 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one is 58699-62-0.
What is the molecular formula of 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one?
The molecular formula of 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one is C11H12O.
What is the molecular weight of 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one?
The molecular weight of 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one is 160.09 g/mol.
Where can I buy 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one?
You can request a quote for 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,3a,4,6a-Hexahydro-2,4,1-(propane[1,1,3]triyl)pentalen-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.