4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone
TL;DR: 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone (CAS 54845-31-7) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
Also Known As: 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone, Decahydro-4-methoxy-8-methyl-naphthalen-1-one, 4-methoxy-8-methyl-decahydronaphthalen-1-one, 1(2H)-Naphthalenone, octahydro-4-methoxy-8-methyl-, 4-Methoxy-8-methyloctahydronaphthalen-1(2H)-one
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 54845-31-7 |
|---|---|
| SMILES | CC1CCCC2C1C(=O)CCC2OC |
| InChIKey | ZSHIPISWODKPQT-UHFFFAOYSA-N |
Product Overview
4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone (CAS 54845-31-7), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 4-methoxy-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.
Chemical Property Profile of 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone
Property Insights of 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone 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 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone?
The CAS number of 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone is 54845-31-7.
What is the molecular formula of 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone?
The molecular formula of 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone is C12H20O2.
What is the molecular weight of 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone?
The molecular weight of 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone is 196.15 g/mol.
Where can I buy 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone?
You can request a quote for 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-8-methyloctahydro-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.