1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione
TL;DR: 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione (CAS 21170-73-0) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 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-3,7-dione
Also Known As: [?]dione|tricyclo[3.3.3.01,5]undeca-3,7-dione|1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione|Tricyclo[3.3.3.01,5]undecane-3,7-dione|(Hexahydro-3a,6a-propanopentalene)-2,5-dione
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 21170-73-0 |
|---|---|
| SMILES | C1CC23CC(=O)CC2(C1)CC(=O)C3 |
| InChIKey | MQYAWHAUCDMSHX-UHFFFAOYSA-N |
Product Overview
1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione (CAS 21170-73-0), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: tricyclo[3.3.3.01,5]undecane-3,7-dione.
Chemical Property Profile of 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione
Property Insights of 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-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 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione?
The CAS number of 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione is 21170-73-0.
What is the molecular formula of 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione?
The molecular formula of 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione is C11H14O2.
What is the molecular weight of 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione?
The molecular weight of 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione is 178.10 g/mol.
Where can I buy 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione?
You can request a quote for 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1H,4H-3a,6a-Propanopentalene-2,5(3H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.