2-(3-bromobenzyl)phthalazin-1(2H)-one
TL;DR: 2-(3-bromobenzyl)phthalazin-1(2H)-one (CAS 442660-48-2) is a chemical compound with molecular formula C15H11BrN2O and molecular weight 314.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methyl]phthalazin-1-one
Also Known As: ChemDiv2_002270, 2-(3-bromobenzyl)phthalazin-1(2H)-one, 2-(3-bromobenzyl)-1(2H)-phthalazinone, 2-[(3-bromophenyl)methyl]phthalazin-1-one, 2-(3-Bromo-benzyl)-2H-phthalazin-1-one
| Molecular Formula | C15H11BrN2O |
|---|---|
| Molecular Weight | 314.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0055 |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 442660-48-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN(C2=O)CC3=CC(=CC=C3)Br |
| InChIKey | CTAAEVAOZYPZLL-UHFFFAOYSA-N |
Product Overview
2-(3-bromobenzyl)phthalazin-1(2H)-one (CAS 442660-48-2), with molecular formula C15H11BrN2O and molecular weight 314.01 g/mol. IUPAC: 2-[(3-bromophenyl)methyl]phthalazin-1-one.
Chemical Property Profile of 2-(3-bromobenzyl)phthalazin-1(2H)-one
Property Insights of 2-(3-bromobenzyl)phthalazin-1(2H)-one
The XLogP value of 3.1 indicates that 2-(3-bromobenzyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2-(3-bromobenzyl)phthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-bromobenzyl)phthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 2 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-(3-bromobenzyl)phthalazin-1(2H)-one?
The CAS number of 2-(3-bromobenzyl)phthalazin-1(2H)-one is 442660-48-2.
What is the molecular formula of 2-(3-bromobenzyl)phthalazin-1(2H)-one?
The molecular formula of 2-(3-bromobenzyl)phthalazin-1(2H)-one is C15H11BrN2O.
What is the molecular weight of 2-(3-bromobenzyl)phthalazin-1(2H)-one?
The molecular weight of 2-(3-bromobenzyl)phthalazin-1(2H)-one is 314.01 g/mol.
Where can I buy 2-(3-bromobenzyl)phthalazin-1(2H)-one?
You can request a quote for 2-(3-bromobenzyl)phthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-bromobenzyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-bromobenzyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.