2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione
TL;DR: 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione (CAS 3114-98-5) is a chemical compound with molecular formula C16H9BrO2S and molecular weight 343.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-phenylsulfanylnaphthalene-1,4-dione
Also Known As: 2-bromo-3-phenylsulfanylnaphthalene-1,4-dione, 1,4-NAPHTHALENEDIONE,2-BROMO-3-(PHENYLTHIO)-, 2-BROMO-3-(PHENYLSULFANYL)NAPHTHALENE-1,4-DIONE
| Molecular Formula | C16H9BrO2S |
|---|---|
| Molecular Weight | 343.95 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.95065 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 3114-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)Br |
| InChIKey | YVFNIIXMUPNHLD-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione (CAS 3114-98-5), with molecular formula C16H9BrO2S and molecular weight 343.95 g/mol. IUPAC: 2-bromo-3-phenylsulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione
Property Insights of 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione
The XLogP value of 4.6 indicates that 2-Bromo-3-phenylsulfanylnaphthalene-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-phenylsulfanylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-phenylsulfanylnaphthalene-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-phenylsulfanylnaphthalene-1,4-dione?
The CAS number of 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione is 3114-98-5.
What is the molecular formula of 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione?
The molecular formula of 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione is C16H9BrO2S.
What is the molecular weight of 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione?
The molecular weight of 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione is 343.95 g/mol.
Where can I buy 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione?
You can request a quote for 2-Bromo-3-phenylsulfanylnaphthalene-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-phenylsulfanylnaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-phenylsulfanylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.