2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione (CAS 115554-59-1) is a chemical compound with molecular formula C13H10ClNO2 and molecular weight 247.04001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-(cyclopropylamino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(cyclopropylamino)naphthoquinone, 2-chloro-3-(cyclopropylamino)naphthalene-1,4-dione
Technical Specifications
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.04001 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04001 Da |
| Heavy Atoms | 17 |
| Complexity | 412.0 |
| SMILES | C1CC1NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | OFILXJSKEWNQAA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione
The XLogP value of 3.3 indicates that 2-Chloro-3-(cyclopropylamino)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 46.2 Ų, 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(cyclopropylamino)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
What is the CAS number of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione is 115554-59-1.
What is the molecular formula of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione is C13H10ClNO2.
What is the molecular weight of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione is 247.04001 g/mol.
Where can I buy 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-(cyclopropylamino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.