1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-
TL;DR: 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- (CAS 77189-69-6) is a chemical compound with molecular formula C12H7BrO4 and molecular weight 293.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-bromo-5,8-dioxonaphthalen-1-yl) acetate
Also Known As: 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-, 6-bromo-5,8-dioxo-5,8-dihydronaphthalen-1-yl acetate, (6-bromo-5,8-dioxonaphthalen-1-yl) acetate, 5-Acetoxy-2-bromo-1,4-naphthoquinone, 2-Bromo-5-acetoxy-1,4-naphthoquinone
| Molecular Formula | C12H7BrO4 |
|---|---|
| Molecular Weight | 293.95 g/mol |
| LogP | 2.2697 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.95276 |
| Heavy Atoms | 17 |
| Complexity | 571.8684 |
Chemical Identifiers
| CAS Number | 77189-69-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C(=O)C=C(C2=O)Br |
Product Overview
1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- (CAS 77189-69-6), with molecular formula C12H7BrO4 and molecular weight 293.95 g/mol. IUPAC: (6-bromo-5,8-dioxonaphthalen-1-yl) acetate.
Chemical Property Profile of 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-
Property Insights of 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-
The XLogP value of 2.2697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- 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 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-?
The CAS number of 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- is 77189-69-6.
What is the molecular formula of 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-?
The molecular formula of 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- is C12H7BrO4.
What is the molecular weight of 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-?
The molecular weight of 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- is 293.95 g/mol.
Where can I buy 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-?
You can request a quote for 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 5-(acetyloxy)-2-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.