2-Bromo-2'-acetonaphthone
TL;DR: 2-Bromo-2'-acetonaphthone (CAS 613-54-7) is a chemical compound with molecular formula C12H9BrO and molecular weight 247.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-naphthalen-2-ylethanone
Also Known As: 2-Bromo-2'-acetonaphthone, Bromomethyl 2-naphthyl ketone, 2-(BROMOACETYL)NAPHTHALENE, 2-Bromoacetylnaphthalene, 2-Bromo-1-(2-naphthyl)ethanone
| Molecular Formula | C12H9BrO |
|---|---|
| Molecular Weight | 247.98 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.98367 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 613-54-7 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CBr |
| InChIKey | YHXHHGDUANVQHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-2'-acetonaphthone (CAS 613-54-7), with molecular formula C12H9BrO and molecular weight 247.98 g/mol. IUPAC: 2-bromo-1-naphthalen-2-ylethanone.
Chemical Property Profile of 2-Bromo-2'-acetonaphthone
Property Insights of 2-Bromo-2'-acetonaphthone
The XLogP value of 4.0 indicates that 2-Bromo-2'-acetonaphthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromo-2'-acetonaphthone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2'-acetonaphthone has 0 hydrogen bond donor(s) and 1 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-2'-acetonaphthone?
The CAS number of 2-Bromo-2'-acetonaphthone is 613-54-7.
What is the molecular formula of 2-Bromo-2'-acetonaphthone?
The molecular formula of 2-Bromo-2'-acetonaphthone is C12H9BrO.
What is the molecular weight of 2-Bromo-2'-acetonaphthone?
The molecular weight of 2-Bromo-2'-acetonaphthone is 247.98 g/mol.
Where can I buy 2-Bromo-2'-acetonaphthone?
You can request a quote for 2-Bromo-2'-acetonaphthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2'-acetonaphthone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2'-acetonaphthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.