5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one
TL;DR: 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one (CAS 6969-52-4) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 1(2H)-Naphthalenone,3,4-dihydro-5,7,8-trimethyl-, 5,7,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one, 5,7,8-trimethyl-3,4-dihydronaphthalen-1(2h)-one
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 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 | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6969-52-4 |
|---|---|
| SMILES | CC1=CC(=C2CCCC(=O)C2=C1C)C |
| InChIKey | ZPBXTYWAPYEQEH-UHFFFAOYSA-N |
Product Overview
5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one (CAS 6969-52-4), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 5,7,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one
Property Insights of 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one
The XLogP value of 3.1 indicates that 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-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, 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-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 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one?
The CAS number of 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one is 6969-52-4.
What is the molecular formula of 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one?
The molecular formula of 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one is C13H16O.
What is the molecular weight of 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one?
The molecular weight of 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one is 188.12 g/mol.
Where can I buy 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one?
You can request a quote for 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,7,8-Trimethyl-3,4-dihydronaphthalen-1(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.