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2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione
TL;DR: 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione (CAS 7460-16-4) is a chemical compound with molecular formula C17H11ClO3 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)-hydroxymethyl]naphthalene-1,4-dione
Also Known As: Fumaramic acid,N-formyl, NCIOpen2_002745, 2-[(4-chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione, J1.554.706E, 2-[(4-chlorophenyl)-hydroxymethyl]naphthalene-1,4-dione
| Molecular Formula | C17H11ClO3 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.03967 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 7460-16-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)C(C3=CC=C(C=C3)Cl)O |
| InChIKey | KADASKCECXRFJM-UHFFFAOYSA-N |
Product Overview
2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione (CAS 7460-16-4), with molecular formula C17H11ClO3 and molecular weight 298.04 g/mol. IUPAC: 2-[(4-chlorophenyl)-hydroxymethyl]naphthalene-1,4-dione.
Chemical Property Profile of 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione
Property Insights of 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione
The XLogP value of 3.8 indicates that 2-[(4-Chlorophenyl)(hydroxy)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-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)(hydroxy)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-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione?
The CAS number of 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione is 7460-16-4.
What is the molecular formula of 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione?
The molecular formula of 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione is C17H11ClO3.
What is the molecular weight of 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione?
The molecular weight of 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione is 298.04 g/mol.
Where can I buy 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione?
You can request a quote for 2-[(4-Chlorophenyl)(hydroxy)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-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.