1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-
TL;DR: 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- (CAS 91968-56-8) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-methyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione
Also Known As: 3-isopropyl-4-methyl-benzenemethanol, 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-, 8a-Methylhexahydronaphthalene-1,6(2H,5H)-dione, 8a-methyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione, RefChem:221457
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.1149 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 256.8159 |
Chemical Identifiers
| CAS Number | 91968-56-8 |
|---|---|
| SMILES | CC12CCC(=O)CC1CCCC2=O |
Product Overview
1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- (CAS 91968-56-8), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 8a-methyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione.
Chemical Property Profile of 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-
Property Insights of 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-
The XLogP value of 2.1149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-. With a topological polar surface area (TPSA) of 34.14 Ų, 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- 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 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-?
The CAS number of 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- is 91968-56-8.
What is the molecular formula of 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-?
The molecular formula of 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- is C11H16O2.
What is the molecular weight of 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-?
The molecular weight of 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- is 180.12 g/mol.
Where can I buy 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-?
You can request a quote for 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,6(2H,5H)-Naphthalenedione, hexahydro-8a-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.