(3.3.3)Propellane-2,8,9-trione
TL;DR: (3.3.3)Propellane-2,8,9-trione (CAS 64940-50-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[3.3.3.01,5]undecane-2,8,9-trione
Also Known As: (3.3.3)Propellane-2,8,9-trione, [3.3.3]Propellane-2,8,9-trione, Tetrahydro-1H,6H-3a,6a-propanopentalene-1,6,7-trione, 1H,6H-3a,6a-Propanopentalene-1,6,7-trione, tetrahydro-
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 64940-50-7 |
|---|---|
| SMILES | C1CC23CCC(=O)C2(C1=O)C(=O)CC3 |
| InChIKey | DAAMSDQYKUYZAI-UHFFFAOYSA-N |
Product Overview
(3.3.3)Propellane-2,8,9-trione (CAS 64940-50-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: tricyclo[3.3.3.01,5]undecane-2,8,9-trione.
Chemical Property Profile of (3.3.3)Propellane-2,8,9-trione
Property Insights of (3.3.3)Propellane-2,8,9-trione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3.3.3)Propellane-2,8,9-trione. With a topological polar surface area (TPSA) of 51.2 Ų, (3.3.3)Propellane-2,8,9-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3.3.3)Propellane-2,8,9-trione has 0 hydrogen bond donor(s) and 3 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 (3.3.3)Propellane-2,8,9-trione?
The CAS number of (3.3.3)Propellane-2,8,9-trione is 64940-50-7.
What is the molecular formula of (3.3.3)Propellane-2,8,9-trione?
The molecular formula of (3.3.3)Propellane-2,8,9-trione is C11H12O3.
What is the molecular weight of (3.3.3)Propellane-2,8,9-trione?
The molecular weight of (3.3.3)Propellane-2,8,9-trione is 192.08 g/mol.
Where can I buy (3.3.3)Propellane-2,8,9-trione?
You can request a quote for (3.3.3)Propellane-2,8,9-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3.3.3)Propellane-2,8,9-trione?
Yes, KEHONG BIO provides custom synthesis services for (3.3.3)Propellane-2,8,9-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.