3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione
TL;DR: 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione (CAS 21890-57-3) is a chemical compound with molecular formula C11H7ClO3 and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-hydroxy-2-methylnaphthalene-1,4-dione
Also Known As: 3-Chlorplumbagin, 3-Chloroplumbagin, CHLOROPLUMBAGIN, 3-chloro-5-hydroxy-2-methylnaphthalene-1,4-dione, 3-Chloro-5-hydroxy-2-methyl-1,4-naphthoquinone
| Molecular Formula | C11H7ClO3 |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.00838 |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 21890-57-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)Cl |
| InChIKey | LHPOSZYLQOYNDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione (CAS 21890-57-3), with molecular formula C11H7ClO3 and molecular weight 222.01 g/mol. IUPAC: 3-chloro-5-hydroxy-2-methylnaphthalene-1,4-dione.
Chemical Property Profile of 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione
Property Insights of 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-hydroxy-2-methylnaphthalene-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 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione?
The CAS number of 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione is 21890-57-3.
What is the molecular formula of 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione?
The molecular formula of 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione is C11H7ClO3.
What is the molecular weight of 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione?
The molecular weight of 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione is 222.01 g/mol.
Where can I buy 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione?
You can request a quote for 3-Chloro-5-hydroxy-2-methylnaphthalene-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 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.