![2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione structure](/static/products/905/90514-72-0.png)
2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione
TL;DR: 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione (CAS 90514-72-0) is a chemical compound with molecular formula C17H11BrO2S and molecular weight 357.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione
Also Known As: 2-Brom-3-phthalimido-propionsaeure, 2-bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione, 2-Brom-3-p-tolylmercapto-[1,4]naphthochinon, 2-bromo-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione, 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dionato
| Molecular Formula | C17H11BrO2S |
|---|---|
| Molecular Weight | 357.97 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.9663 |
| Heavy Atoms | 21 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 90514-72-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)Br |
| InChIKey | HAMSJFSQFUEGCQ-UHFFFAOYSA-N |
Product Overview
2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione (CAS 90514-72-0), with molecular formula C17H11BrO2S and molecular weight 357.97 g/mol. IUPAC: 2-bromo-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione.
Chemical Property Profile of 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione
Property Insights of 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione
The XLogP value of 5.0 indicates that 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-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-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-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-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione?
The CAS number of 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione is 90514-72-0.
What is the molecular formula of 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione?
The molecular formula of 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione is C17H11BrO2S.
What is the molecular weight of 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione?
The molecular weight of 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione is 357.97 g/mol.
Where can I buy 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione?
You can request a quote for 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-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-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.