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2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione
TL;DR: 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione (CAS 6935-21-3) is a chemical compound with molecular formula C17H12O3 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[hydroxy(phenyl)methyl]naphthalene-1,4-dione
Also Known As: NCIOpen2_002702, 2-[hydroxy(phenyl)methyl]naphthalene-1,4-dione, 2-(alpha-Hydroxybenzyl)-1,4-naphthoquinone, J1.554.700F, ethyl 2-methyl-2-[(phenylcarbamoyl)oxy]propanoate
| Molecular Formula | C17H12O3 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.07864 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 6935-21-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O |
| InChIKey | QZUXQFHABMIUOY-UHFFFAOYSA-N |
Product Overview
2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione (CAS 6935-21-3), with molecular formula C17H12O3 and molecular weight 264.08 g/mol. IUPAC: 2-[hydroxy(phenyl)methyl]naphthalene-1,4-dione.
Chemical Property Profile of 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione
Property Insights of 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione
The XLogP value of 3.2 indicates that 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 3 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 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione?
The CAS number of 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione is 6935-21-3.
What is the molecular formula of 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione?
The molecular formula of 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione is C17H12O3.
What is the molecular weight of 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione?
The molecular weight of 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione is 264.08 g/mol.
Where can I buy 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione?
You can request a quote for 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[Hydroxy(phenyl)methyl]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.