cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione
TL;DR: cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione (CAS 21170-10-5) 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-1,3,4,6-tetrahydropentalene-2,5-dione
Also Known As: cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione, zlchem 111, Maybridge1_002437, 3a,6a-dimethylperhydropentalene-2,5-dione, 3a,6a-dimethyl-1,3,4,6-tetrahydropentalene-2,5-dione
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 21170-10-5 |
|---|---|
| SMILES | CC12CC(=O)CC1(CC(=O)C2)C |
| InChIKey | KGZWVKASYOPUET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione (CAS 21170-10-5), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 3a,6a-dimethyl-1,3,4,6-tetrahydropentalene-2,5-dione.
Chemical Property Profile of cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione
Property Insights of cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione. With a topological polar surface area (TPSA) of 34.1 Ų, cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-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 cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione?
The CAS number of cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione is 21170-10-5.
What is the molecular formula of cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione?
The molecular formula of cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione is C10H14O2.
What is the molecular weight of cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione?
The molecular weight of cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione is 166.10 g/mol.
Where can I buy cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione?
You can request a quote for cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.