2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-
TL;DR: 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- (CAS 57289-16-4) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione
Also Known As: 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-, 1,1,8a-Trimethyloctahydro-2,6-naphthalenedione, 1,1,8a-Trimethyloctahydronaphthalene-2,6-dione, 1,1,8a-Trimethyloctahydro-2,6-naphthalenedione #, 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 57289-16-4 |
|---|---|
| SMILES | CC1(C(=O)CCC2C1(CCC(=O)C2)C)C |
| InChIKey | DCXYTWFLOVRYLZ-UHFFFAOYSA-N |
Product Overview
2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- (CAS 57289-16-4), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione.
Chemical Property Profile of 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-
Property Insights of 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-. With a topological polar surface area (TPSA) of 34.1 Ų, 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- 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 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-?
The CAS number of 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- is 57289-16-4.
What is the molecular formula of 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-?
The molecular formula of 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- is C13H20O2.
What is the molecular weight of 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-?
The molecular weight of 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- is 208.15 g/mol.
Where can I buy 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-?
You can request a quote for 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.