![2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione structure](/static/products/924/92437-25-7.png)
2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
TL;DR: 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione (CAS 92437-25-7) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
Also Known As: NCIOpen2_007386, 2-[(3,4-diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione, 2-[(3,4-diethoxyphenyl)(hydroxy)methyl]naphthalene-1,4-dione, 1,4-Naphthalenedione,2-[(3,4-diethoxyphenyl)hydroxymethyl]-
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 92437-25-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O)OCC |
| InChIKey | KXPJCUKQZUTCQO-UHFFFAOYSA-N |
Product Overview
2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione (CAS 92437-25-7), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: 2-[(3,4-diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione.
Chemical Property Profile of 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
Property Insights of 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
The XLogP value of 3.5 indicates that 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 5 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-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
The CAS number of 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is 92437-25-7.
What is the molecular formula of 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
The molecular formula of 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is C21H20O5.
What is the molecular weight of 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
The molecular weight of 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is 352.13 g/mol.
Where can I buy 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
You can request a quote for 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]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-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-Diethoxyphenyl)-hydroxymethyl]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.