1,4-Naphthalenedione, 2-bromo-3-(methylamino)-
TL;DR: 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- (CAS 92-08-0) is a chemical compound with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-(methylamino)naphthalene-1,4-dione
Also Known As: 1,4-Naphthoquinone der., 2-bromo-3-(methylamino)naphthalene-1,4-dione, 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-, 1,4-Naphthalenedione,2-bromo-3- -, 2-Bromo-3-methylamino-1,4-naphthoquinone
| Molecular Formula | C11H8BrNO2 |
|---|---|
| Molecular Weight | 264.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.97385 |
| Heavy Atoms | 15 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 92-08-0 |
|---|---|
| SMILES | CNC1=C(C(=O)C2=CC=CC=C2C1=O)Br |
| InChIKey | OXCKULWCKUNSQC-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-bromo-3-(methylamino)- (CAS 92-08-0), with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol. IUPAC: 2-bromo-3-(methylamino)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-
Property Insights of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-. With a topological polar surface area (TPSA) of 46.2 Ų, 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- 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
Frequently Asked Questions
What is the CAS number of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-?
The CAS number of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- is 92-08-0.
What is the molecular formula of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-?
The molecular formula of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- is C11H8BrNO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-?
The molecular weight of 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- is 264.97 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-bromo-3-(methylamino)-?
You can request a quote for 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- 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-3-(methylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-bromo-3-(methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.