6,7-Dichloro-5,8-dioxonaphthyl acetate
TL;DR: 6,7-Dichloro-5,8-dioxonaphthyl acetate (CAS 71700-72-6) is a chemical compound with molecular formula C12H6Cl2O4 and molecular weight 283.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dichloro-5,8-dioxonaphthalen-1-yl) acetate
Also Known As: 6,7-dichloro-5,8-dioxonaphthyl acetate, (6,7-dichloro-5,8-dioxonaphthalen-1-yl) acetate, 5-acetoxy-2,3-dichloro-[1,4]naphthoquinone, 6,7-dichloro-5,8-dioxo-5,8-dihydronaphthalen-1-yl acetate
| Molecular Formula | C12H6Cl2O4 |
|---|---|
| Molecular Weight | 283.96 g/mol |
| LogP | 2.6801 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.96432 |
| Heavy Atoms | 18 |
| Complexity | 616.5035 |
Chemical Identifiers
| CAS Number | 71700-72-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C(=O)C(=C(C2=O)Cl)Cl |
Product Overview
6,7-Dichloro-5,8-dioxonaphthyl acetate (CAS 71700-72-6), with molecular formula C12H6Cl2O4 and molecular weight 283.96 g/mol. IUPAC: (6,7-dichloro-5,8-dioxonaphthalen-1-yl) acetate.
Chemical Property Profile of 6,7-Dichloro-5,8-dioxonaphthyl acetate
Property Insights of 6,7-Dichloro-5,8-dioxonaphthyl acetate
The XLogP value of 2.6801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dichloro-5,8-dioxonaphthyl acetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dichloro-5,8-dioxonaphthyl acetate. Following Lipinski's Rule of Five, 6,7-Dichloro-5,8-dioxonaphthyl acetate 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 6,7-Dichloro-5,8-dioxonaphthyl acetate?
The CAS number of 6,7-Dichloro-5,8-dioxonaphthyl acetate is 71700-72-6.
What is the molecular formula of 6,7-Dichloro-5,8-dioxonaphthyl acetate?
The molecular formula of 6,7-Dichloro-5,8-dioxonaphthyl acetate is C12H6Cl2O4.
What is the molecular weight of 6,7-Dichloro-5,8-dioxonaphthyl acetate?
The molecular weight of 6,7-Dichloro-5,8-dioxonaphthyl acetate is 283.96 g/mol.
Where can I buy 6,7-Dichloro-5,8-dioxonaphthyl acetate?
You can request a quote for 6,7-Dichloro-5,8-dioxonaphthyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dichloro-5,8-dioxonaphthyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dichloro-5,8-dioxonaphthyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.