1-(2,4-Dihydroxyphenyl)-2-bromoethanone
TL;DR: 1-(2,4-Dihydroxyphenyl)-2-bromoethanone (CAS 2491-39-6) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(2,4-dihydroxyphenyl)ethanone
Also Known As: 2-bromo-1-(2,4-dihydroxyphenyl)ethanone, 2-Bromo-2',4'-dihydroxyacetophenone, 2,4-Hbe, 4-(Bromoacetyl)resorcinol, 6-Amino-1-benzyluracil
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 2491-39-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)C(=O)CBr |
| InChIKey | RAULLGKGLGXMOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,4-Dihydroxyphenyl)-2-bromoethanone (CAS 2491-39-6), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 2-bromo-1-(2,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 1-(2,4-Dihydroxyphenyl)-2-bromoethanone
Property Insights of 1-(2,4-Dihydroxyphenyl)-2-bromoethanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dihydroxyphenyl)-2-bromoethanone. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(2,4-Dihydroxyphenyl)-2-bromoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dihydroxyphenyl)-2-bromoethanone has 2 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 1-(2,4-Dihydroxyphenyl)-2-bromoethanone?
The CAS number of 1-(2,4-Dihydroxyphenyl)-2-bromoethanone is 2491-39-6.
What is the molecular formula of 1-(2,4-Dihydroxyphenyl)-2-bromoethanone?
The molecular formula of 1-(2,4-Dihydroxyphenyl)-2-bromoethanone is C8H7BrO3.
What is the molecular weight of 1-(2,4-Dihydroxyphenyl)-2-bromoethanone?
The molecular weight of 1-(2,4-Dihydroxyphenyl)-2-bromoethanone is 229.96 g/mol.
Where can I buy 1-(2,4-Dihydroxyphenyl)-2-bromoethanone?
You can request a quote for 1-(2,4-Dihydroxyphenyl)-2-bromoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dihydroxyphenyl)-2-bromoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dihydroxyphenyl)-2-bromoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.