2-Bromo-3-methylsulfanylnaphthalene-1,4-dione
TL;DR: 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione (CAS 26037-62-7) is a chemical compound with molecular formula C11H7BrO2S and molecular weight 281.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methylsulfanylnaphthalene-1,4-dione
Also Known As: 2-bromo-3-methylsulfanylnaphthalene-1,4-dione, 2-BROMO-3-(METHYLSULFANYL)NAPHTHALENE-1,4-DIONE
| Molecular Formula | C11H7BrO2S |
|---|---|
| Molecular Weight | 281.94 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.935 |
| Heavy Atoms | 15 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 26037-62-7 |
|---|---|
| SMILES | CSC1=C(C(=O)C2=CC=CC=C2C1=O)Br |
| InChIKey | NOEAHJFCGHOGLK-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-methylsulfanylnaphthalene-1,4-dione (CAS 26037-62-7), with molecular formula C11H7BrO2S and molecular weight 281.94 g/mol. IUPAC: 2-bromo-3-methylsulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione
Property Insights of 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione
The XLogP value of 3.1 indicates that 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione has 0 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 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione?
The CAS number of 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione is 26037-62-7.
What is the molecular formula of 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione?
The molecular formula of 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione is C11H7BrO2S.
What is the molecular weight of 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione?
The molecular weight of 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione is 281.94 g/mol.
Where can I buy 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione?
You can request a quote for 2-Bromo-3-methylsulfanylnaphthalene-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-Bromo-3-methylsulfanylnaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-methylsulfanylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.