![2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione structure](/static/products/6627/6627-15-2.webp)
2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione
TL;DR: 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione (CAS 6627-15-2) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione
Also Known As: NCIOpen2_007881, 2-[[4-(diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione, 2-{[4-(diethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione, 1,4-Naphthalenedione,2-[[4-(diethylamino)phenyl]hydroxymethyl]-
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 6627-15-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O |
| InChIKey | ITMUNRMIPBDJRP-UHFFFAOYSA-N |
Product Overview
2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione (CAS 6627-15-2), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 2-[[4-(diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione.
Chemical Property Profile of 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione
Property Insights of 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione
The XLogP value of 3.7 indicates that 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]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 57.6 Ų, 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 4 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-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione?
The CAS number of 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione is 6627-15-2.
What is the molecular formula of 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione?
The molecular formula of 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione is C21H21NO3.
What is the molecular weight of 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione?
The molecular weight of 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione is 335.15 g/mol.
Where can I buy 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione?
You can request a quote for 2-[[4-(Diethylamino)phenyl]-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-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.