2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione (CAS 72520-66-2) is a chemical compound with molecular formula C15H11ClO4 and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione, J1.190.314B, 3-(1-Acetyl-2-oxopropyl)-2-chloronaphthalene-1,4-dione, 2-(1-acetyl-2-oxopropyl)-3-chloronaphthoquinone, 2-(1-Acetyl-2-oxopropyl)-3-chloro-1,4-naphthoquinone
| Molecular Formula | C15H11ClO4 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.03458 |
| Heavy Atoms | 20 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 72520-66-2 |
|---|---|
| SMILES | CC(=O)C(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)C |
| InChIKey | VOXGHPDQFNUMNF-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione (CAS 72520-66-2), with molecular formula C15H11ClO4 and molecular weight 290.03 g/mol. IUPAC: 2-chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione has 0 hydrogen bond donor(s) and 4 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 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione is 72520-66-2.
What is the molecular formula of 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione is C15H11ClO4.
What is the molecular weight of 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione is 290.03 g/mol.
Where can I buy 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-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 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(2,4-dioxopentan-3-yl)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.