Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione
TL;DR: Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione (CAS 712-25-4) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[6.4.0.02,7.03,11.06,10]dodecane-9,12-dione
Also Known As: Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione, octahydro-3,6,1-(ethane[1,1,2]triyl)cyclobuta[cd]indene-2,8(1H)-dione, pentacyclo(6.4.0.02,7.03,11.06,10)dodecane-9,12-dione, pentacyclo[6.4.0.02,7.03,11.06,10]dodecan-9,12-dione, pentacyclo[6.4.0.02,7.03,11.06,10]dodecane-9,12-dione
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 712-25-4 |
|---|---|
| SMILES | C1CC2C3C4C1C5C2C(=O)C3C4C5=O |
| InChIKey | QKFUKYWULIYZFN-UHFFFAOYSA-N |
Product Overview
Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione (CAS 712-25-4), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: pentacyclo[6.4.0.02,7.03,11.06,10]dodecane-9,12-dione.
Chemical Property Profile of Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione
Property Insights of Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione 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 Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione?
The CAS number of Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione is 712-25-4.
What is the molecular formula of Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione?
The molecular formula of Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione is C12H12O2.
What is the molecular weight of Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione?
The molecular weight of Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione is 188.08 g/mol.
Where can I buy Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione?
You can request a quote for Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.