![Cyclobuta[a]naphthalen-1(2H)-one structure](/static/products/627/62708-45-6.png)
Cyclobuta[a]naphthalen-1(2H)-one
TL;DR: Cyclobuta[a]naphthalen-1(2H)-one (CAS 62708-45-6) is a chemical compound with molecular formula C12H8O and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-cyclobuta[a]naphthalen-1-one
Also Known As: 2H-cyclobuta[a]naphthalen-1-one, Cyclobuta[a]naphthalen-1(2H)-one, 1H,2H-cyclobuta[a]naphthalen-1-one, 1,2-Dihydrocyclobuta[a]naphthalene-1-one, J2.144.539H
| Molecular Formula | C12H8O |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.5786 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.05751 |
| Heavy Atoms | 13 |
| Complexity | 511.51346 |
Chemical Identifiers
| CAS Number | 62708-45-6 |
|---|---|
| SMILES | C1C2=C(C1=O)C3=CC=CC=C3C=C2 |
Product Overview
Cyclobuta[a]naphthalen-1(2H)-one (CAS 62708-45-6), with molecular formula C12H8O and molecular weight 168.06 g/mol. IUPAC: 2H-cyclobuta[a]naphthalen-1-one.
Chemical Property Profile of Cyclobuta[a]naphthalen-1(2H)-one
Property Insights of Cyclobuta[a]naphthalen-1(2H)-one
The XLogP value of 2.5786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobuta[a]naphthalen-1(2H)-one. With a topological polar surface area (TPSA) of 17.07 Ų, Cyclobuta[a]naphthalen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobuta[a]naphthalen-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 Cyclobuta[a]naphthalen-1(2H)-one?
The CAS number of Cyclobuta[a]naphthalen-1(2H)-one is 62708-45-6.
What is the molecular formula of Cyclobuta[a]naphthalen-1(2H)-one?
The molecular formula of Cyclobuta[a]naphthalen-1(2H)-one is C12H8O.
What is the molecular weight of Cyclobuta[a]naphthalen-1(2H)-one?
The molecular weight of Cyclobuta[a]naphthalen-1(2H)-one is 168.06 g/mol.
Where can I buy Cyclobuta[a]naphthalen-1(2H)-one?
You can request a quote for Cyclobuta[a]naphthalen-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 Cyclobuta[a]naphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for Cyclobuta[a]naphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.