2-Chloro-3-methoxy-1,4-naphthalenedione
TL;DR: 2-Chloro-3-methoxy-1,4-naphthalenedione (CAS 15707-32-1) is a chemical compound with molecular formula C11H7ClO3 and molecular weight 222.00838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-methoxynaphthalene-1,4-dione
Also Known As: 2-Chloro-3-methoxy-1,4-naphthoquinone, 2-chloro-3-methoxynaphthalene-1,4-dione, 1,4-NAPHTHOQUINONE, 2-CHLORO-3-METHOXY-, 2-Chloro-3-methoxynaphthoquinone #, 1,4-Naphthalenedione, 2-chloro-3-methoxy-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H7ClO3 |
| Molecular Weight | 222.00838 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00838 Da |
| Heavy Atoms | 15 |
| Complexity | 346.0 |
| SMILES | COC1=C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | MLABDRCTCNEFPX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-methoxy-1,4-naphthalenedione
Property Insights of 2-Chloro-3-methoxy-1,4-naphthalenedione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-methoxy-1,4-naphthalenedione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Chloro-3-methoxy-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-methoxy-1,4-naphthalenedione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-methoxy-1,4-naphthalenedione?
The CAS number of 2-Chloro-3-methoxy-1,4-naphthalenedione is 15707-32-1.
What is the molecular formula of 2-Chloro-3-methoxy-1,4-naphthalenedione?
The molecular formula of 2-Chloro-3-methoxy-1,4-naphthalenedione is C11H7ClO3.
What is the molecular weight of 2-Chloro-3-methoxy-1,4-naphthalenedione?
The molecular weight of 2-Chloro-3-methoxy-1,4-naphthalenedione is 222.00838 g/mol.
Where can I buy 2-Chloro-3-methoxy-1,4-naphthalenedione?
You can request a quote for 2-Chloro-3-methoxy-1,4-naphthalenedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-methoxy-1,4-naphthalenedione?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-methoxy-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.