1,4-Naphthalenedione, 2-bromo-
TL;DR: 1,4-Naphthalenedione, 2-bromo- (CAS 2065-37-4) is a chemical compound with molecular formula C10H5BrO2 and molecular weight 235.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromonaphthalene-1,4-dione
Also Known As: 2-bromonaphthalene-1,4-dione, 2-BROMO-1,4-NAPHTHOQUINONE, 2-bromonaphthoquinone, 3-Bromo-1,4-naphthoquinone, bromonaphthoquinone
| Molecular Formula | C10H5BrO2 |
|---|---|
| Molecular Weight | 235.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.9473 |
| Heavy Atoms | 13 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 2065-37-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)Br |
| InChIKey | KJOHPBJYGGFYBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Naphthalenedione, 2-bromo- (CAS 2065-37-4), with molecular formula C10H5BrO2 and molecular weight 235.95 g/mol. IUPAC: 2-bromonaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-bromo-
Property Insights of 1,4-Naphthalenedione, 2-bromo-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-bromo-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Naphthalenedione, 2-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-bromo- has 0 hydrogen bond donor(s) and 2 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, 2-bromo-?
The CAS number of 1,4-Naphthalenedione, 2-bromo- is 2065-37-4.
What is the molecular formula of 1,4-Naphthalenedione, 2-bromo-?
The molecular formula of 1,4-Naphthalenedione, 2-bromo- is C10H5BrO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-bromo-?
The molecular weight of 1,4-Naphthalenedione, 2-bromo- is 235.95 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-bromo-?
You can request a quote for 1,4-Naphthalenedione, 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, 2-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.