![2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione structure](/static/products/7473/74733-99-6.webp)
2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
TL;DR: 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione (CAS 74733-99-6) is a chemical compound with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
Also Known As: NCIOpen2_007384, 2-[(5-chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione, 2-[(5-chloro-2-hydroxyphenyl)(hydroxy)methyl]naphthalene-1,4-dione, 2-[hydroxy(4-methoxyphenyl)methyl]naphthalene-1,4-dione, 1,4-Naphthalenedione,2-[(5-chloro-2-hydroxyphenyl)hydroxymethyl]-
| Molecular Formula | C17H11ClO4 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.03458 |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 74733-99-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)C(C3=C(C=CC(=C3)Cl)O)O |
| InChIKey | PGEPVJBGYZTGLA-UHFFFAOYSA-N |
Product Overview
2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione (CAS 74733-99-6), with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol. IUPAC: 2-[(5-chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione.
Chemical Property Profile of 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
Property Insights of 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione
The XLogP value of 3.1 indicates that 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione has 2 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-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
The CAS number of 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is 74733-99-6.
What is the molecular formula of 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
The molecular formula of 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is C17H11ClO4.
What is the molecular weight of 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
The molecular weight of 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione is 314.03 g/mol.
Where can I buy 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
You can request a quote for 2-[(5-Chloro-2-hydroxyphenyl)-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-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Chloro-2-hydroxyphenyl)-hydroxymethyl]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.