1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-
TL;DR: 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- (CAS 42981-74-8) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-, 3-tert-butyl-3,4-dihydro-2H-naphthalen-1-one, 3-tert-Butyl-3,4-dihydro-1(2H)-naphthalenone, 3-tert-Butyl-3,4-dihydronaphthalen-1(2H)-one, 3-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-one
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 42981-74-8 |
|---|---|
| SMILES | CC(C)(C)C1CC2=CC=CC=C2C(=O)C1 |
| InChIKey | RAQBOOFRJYTTTP-UHFFFAOYSA-N |
Product Overview
1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- (CAS 42981-74-8), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: 3-tert-butyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-
Property Insights of 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-
The XLogP value of 3.6 indicates that 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- 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(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- 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(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-?
The CAS number of 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- is 42981-74-8.
What is the molecular formula of 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-?
The molecular formula of 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- is C14H18O.
What is the molecular weight of 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-?
The molecular weight of 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- is 202.14 g/mol.
Where can I buy 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-?
You can request a quote for 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Naphthalenone, 3-(1,1-dimethylethyl)-3,4-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.