3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione
TL;DR: 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione (CAS 7475-36-7) is a chemical compound with molecular formula C17H11BrO3 and molecular weight 341.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione
Also Known As: 3-benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione, 3-benzyl-7-bromo-4-hydroxy-naphthalene-1,2-dione
| Molecular Formula | C17H11BrO3 |
|---|---|
| Molecular Weight | 341.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.98917 |
| Heavy Atoms | 21 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 7475-36-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C3=C(C=C(C=C3)Br)C(=O)C2=O)O |
| InChIKey | KURHAXDNRPSGCY-UHFFFAOYSA-N |
Product Overview
3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione (CAS 7475-36-7), with molecular formula C17H11BrO3 and molecular weight 341.99 g/mol. IUPAC: 3-benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione
Property Insights of 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione
The XLogP value of 3.5 indicates that 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione 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 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione?
The CAS number of 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione is 7475-36-7.
What is the molecular formula of 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione?
The molecular formula of 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione is C17H11BrO3.
What is the molecular weight of 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione?
The molecular weight of 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione is 341.99 g/mol.
Where can I buy 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione?
You can request a quote for 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-7-bromo-4-hydroxynaphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.