1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
TL;DR: 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one (CAS 4668-61-5) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
Also Known As: 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one, 3,4,4a,5,6,7-Hexahydro-1,1,4a-trimethyl-2 -naphthalenone, 1,1,4a-trimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-one, 1,1,4a-Trimethyl-3,4,4a,5,6,7-hexahydro-2(1H)-naphthalenone, 1,1,4A-trimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2(1H)-one
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 4668-61-5 |
|---|---|
| SMILES | CC1(C(=O)CCC2(C1=CCCC2)C)C |
| InChIKey | GRCMSFFGWKAZLY-UHFFFAOYSA-N |
Product Overview
1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one (CAS 4668-61-5), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one.
Chemical Property Profile of 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
Property Insights of 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
The XLogP value of 3.1 indicates that 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one has 0 hydrogen bond donor(s) and 1 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 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
The CAS number of 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one is 4668-61-5.
What is the molecular formula of 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
The molecular formula of 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one is C13H20O.
What is the molecular weight of 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
The molecular weight of 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one is 192.15 g/mol.
Where can I buy 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
You can request a quote for 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.