1,2,4-Naphthalenetriol
TL;DR: 1,2,4-Naphthalenetriol (CAS 13302-67-5) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalene-1,2,4-triol
Also Known As: Naphthalene-1,2,4-triol, 1,2,4-naphthalenetriol, 2-Hydroxynaphthoquinone, 1,2,4-trihydroxynaphthalene, 1,2,4-Trihydroxynaphthol
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 13302-67-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2O)O)O |
| InChIKey | ZRJPJJSLXARURS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Naphthalenetriol (CAS 13302-67-5), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: naphthalene-1,2,4-triol.
Chemical Property Profile of 1,2,4-Naphthalenetriol
Property Insights of 1,2,4-Naphthalenetriol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Naphthalenetriol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Naphthalenetriol. Following Lipinski's Rule of Five, 1,2,4-Naphthalenetriol has 3 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 1,2,4-Naphthalenetriol?
The CAS number of 1,2,4-Naphthalenetriol is 13302-67-5.
What is the molecular formula of 1,2,4-Naphthalenetriol?
The molecular formula of 1,2,4-Naphthalenetriol is C10H8O3.
What is the molecular weight of 1,2,4-Naphthalenetriol?
The molecular weight of 1,2,4-Naphthalenetriol is 176.05 g/mol.
Where can I buy 1,2,4-Naphthalenetriol?
You can request a quote for 1,2,4-Naphthalenetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Naphthalenetriol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Naphthalenetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.