(3.3.3)-Propellane-2,8-dione, 9-methylene-
TL;DR: (3.3.3)-Propellane-2,8-dione, 9-methylene- (CAS 112112-58-0) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methylidenetricyclo[3.3.3.01,5]undecane-2,8-dione
Also Known As: [3.3.3]Propellane-2,8-dione, 9-methylene-|(3.3.3)-Propellane-2,8-dione, 9-methylene-|(3.3.3)-Propellane-2,8-dione,9-methylene|[3.3.3]Propellane-2,8-dione, 9-methylene|9-methylidenetricyclo[3.3.3.01,5]undecane-2,8-dione|6-Methylidenetetrahydro-1H,4H-3a,6a-propanopentalene-1,7-dione
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 112112-58-0 |
|---|---|
| SMILES | C=C1CCC23C1(C(=O)CC2)C(=O)CC3 |
| InChIKey | XOUFDVRLVGVXSP-UHFFFAOYSA-N |
Product Overview
(3.3.3)-Propellane-2,8-dione, 9-methylene- (CAS 112112-58-0), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 9-methylidenetricyclo[3.3.3.01,5]undecane-2,8-dione.
Chemical Property Profile of (3.3.3)-Propellane-2,8-dione, 9-methylene-
Property Insights of (3.3.3)-Propellane-2,8-dione, 9-methylene-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3.3.3)-Propellane-2,8-dione, 9-methylene-. With a topological polar surface area (TPSA) of 34.1 Ų, (3.3.3)-Propellane-2,8-dione, 9-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3.3.3)-Propellane-2,8-dione, 9-methylene- 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 (3.3.3)-Propellane-2,8-dione, 9-methylene-?
The CAS number of (3.3.3)-Propellane-2,8-dione, 9-methylene- is 112112-58-0.
What is the molecular formula of (3.3.3)-Propellane-2,8-dione, 9-methylene-?
The molecular formula of (3.3.3)-Propellane-2,8-dione, 9-methylene- is C12H14O2.
What is the molecular weight of (3.3.3)-Propellane-2,8-dione, 9-methylene-?
The molecular weight of (3.3.3)-Propellane-2,8-dione, 9-methylene- is 190.10 g/mol.
Where can I buy (3.3.3)-Propellane-2,8-dione, 9-methylene-?
You can request a quote for (3.3.3)-Propellane-2,8-dione, 9-methylene- 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-dione, 9-methylene-?
Yes, KEHONG BIO provides custom synthesis services for (3.3.3)-Propellane-2,8-dione, 9-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.