1,4-Naphthalenedione, 2-(phenylmethyl)-
TL;DR: 1,4-Naphthalenedione, 2-(phenylmethyl)- (CAS 33440-68-5) is a chemical compound with molecular formula C17H12O2 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylnaphthalene-1,4-dione
Also Known As: 2-benzylnaphthalene-1,4-dione, 2-benzyl-1,4-naphthoquinone, 1,4-Naphthalenedione, 2-(phenylmethyl)-, 2-(Phenylmethyl)-1,4-naphthalenedione, 2-Benzyl-[1,4]naphthoquinone
| Molecular Formula | C17H12O2 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 3.2347 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.08372 |
| Heavy Atoms | 19 |
| Complexity | 681.4181 |
Chemical Identifiers
| CAS Number | 33440-68-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=O)C3=CC=CC=C3C2=O |
Product Overview
1,4-Naphthalenedione, 2-(phenylmethyl)- (CAS 33440-68-5), with molecular formula C17H12O2 and molecular weight 248.08 g/mol. IUPAC: 2-benzylnaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(phenylmethyl)-
Property Insights of 1,4-Naphthalenedione, 2-(phenylmethyl)-
The XLogP value of 3.2347 indicates that 1,4-Naphthalenedione, 2-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,4-Naphthalenedione, 2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(phenylmethyl)- has 0 hydrogen bond donor(s) and 2 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 1,4-Naphthalenedione, 2-(phenylmethyl)-?
The CAS number of 1,4-Naphthalenedione, 2-(phenylmethyl)- is 33440-68-5.
What is the molecular formula of 1,4-Naphthalenedione, 2-(phenylmethyl)-?
The molecular formula of 1,4-Naphthalenedione, 2-(phenylmethyl)- is C17H12O2.
What is the molecular weight of 1,4-Naphthalenedione, 2-(phenylmethyl)-?
The molecular weight of 1,4-Naphthalenedione, 2-(phenylmethyl)- is 248.08 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(phenylmethyl)-?
You can request a quote for 1,4-Naphthalenedione, 2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.