2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione
TL;DR: 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione (CAS 114521-74-3) is a chemical compound with molecular formula C13H11ClO3 and molecular weight 250.03967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chloropropyl)-4-hydroxynaphthalene-1,2-dione
Also Known As: 2-(3-chloropropyl)-3-hydroxynaphthalene-1,4-dione, 3-(3-chloropropyl)-4-hydroxynaphthalene-1,2-dione, 2-Hydroxy-3-(3-chloropropyl)-1,4-naphthoquinone, 3-(3-Chloropropyl)-2-hydroxy-1,4-naphthoquinone, 2-(3-Chloro-propyl)-3-hydroxy-[1,4]naphthoquinone
Technical Specifications
| Molecular Formula | C13H11ClO3 |
| Molecular Weight | 250.03967 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.03967 Da |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CCCCl)O |
| InChIKey | RQPXGDFPIUGKOK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione
Property Insights of 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloropropyl)-3-hydroxynaphthalene-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-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione?
The CAS number of 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione is 114521-74-3.
What is the molecular formula of 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione?
The molecular formula of 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione is C13H11ClO3.
What is the molecular weight of 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione?
The molecular weight of 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione is 250.03967 g/mol.
Where can I buy 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione?
You can request a quote for 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2-(3-Chloropropyl)-3-hydroxynaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.