4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
TL;DR: 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one (CAS 17299-44-4) 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.
4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
Also Known As: 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one, 4a,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8,8-trimethyl-, 4a,8,8-trimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone, 4a,8,8-Trimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.4921 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 298.35742 |
Chemical Identifiers
| CAS Number | 17299-44-4 |
|---|---|
| SMILES | CC1(CCCC2(C1=CC(=O)CC2)C)C |
Product Overview
4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one (CAS 17299-44-4), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one.
Chemical Property Profile of 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
Property Insights of 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
The XLogP value of 3.4921 indicates that 4a,8,8-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 17.07 Ų, 4a,8,8-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, 4a,8,8-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 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
The CAS number of 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one is 17299-44-4.
What is the molecular formula of 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
The molecular formula of 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one is C13H20O.
What is the molecular weight of 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
The molecular weight of 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one is 192.15 g/mol.
Where can I buy 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
You can request a quote for 4a,8,8-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 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.