3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
TL;DR: 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione (CAS 84451-81-0) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
Also Known As: 3a,6a-dimethylperhydropentalene-1,4-dione, 3a,6a-dimethylhexahydropentalene-1,4-dione, 3a,6a-dimethyl-octahydropentalene-1,4-dione, 3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.7248 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 241.01215 |
Chemical Identifiers
| CAS Number | 84451-81-0 |
|---|---|
| SMILES | CC12CCC(=O)C1(CCC2=O)C |
Product Overview
3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione (CAS 84451-81-0), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione.
Chemical Property Profile of 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
Property Insights of 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
The XLogP value of 1.7248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-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 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione?
The CAS number of 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione is 84451-81-0.
What is the molecular formula of 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione?
The molecular formula of 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione is C10H14O2.
What is the molecular weight of 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione?
The molecular weight of 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione is 166.10 g/mol.
Where can I buy 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione?
You can request a quote for 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a,6a-Dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.