1-(3-Amino-4-bromophenyl)ethan-1-one
TL;DR: 1-(3-Amino-4-bromophenyl)ethan-1-one (CAS 37148-51-9) is a chemical compound with molecular formula C8H8BrNO and molecular weight 212.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-4-bromophenyl)ethanone
Also Known As: 1-(3-amino-4-bromophenyl)ethanone, 3'-amino-4'-bromoacetophenone, 1-(3-amino-4-bromophenyl)ethan-1-one, 2-Bromo-5-acetylaniline, 5-Acetyl-2-bromoaniline
| Molecular Formula | C8H8BrNO |
|---|---|
| Molecular Weight | 212.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.97893 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 37148-51-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)Br)N |
| InChIKey | HYRBHUHCBGRDHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Amino-4-bromophenyl)ethan-1-one (CAS 37148-51-9), with molecular formula C8H8BrNO and molecular weight 212.98 g/mol. IUPAC: 1-(3-amino-4-bromophenyl)ethanone.
Chemical Property Profile of 1-(3-Amino-4-bromophenyl)ethan-1-one
Property Insights of 1-(3-Amino-4-bromophenyl)ethan-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Amino-4-bromophenyl)ethan-1-one. With a topological polar surface area (TPSA) of 43.1 Ų, 1-(3-Amino-4-bromophenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Amino-4-bromophenyl)ethan-1-one has 1 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 1-(3-Amino-4-bromophenyl)ethan-1-one?
The CAS number of 1-(3-Amino-4-bromophenyl)ethan-1-one is 37148-51-9.
What is the molecular formula of 1-(3-Amino-4-bromophenyl)ethan-1-one?
The molecular formula of 1-(3-Amino-4-bromophenyl)ethan-1-one is C8H8BrNO.
What is the molecular weight of 1-(3-Amino-4-bromophenyl)ethan-1-one?
The molecular weight of 1-(3-Amino-4-bromophenyl)ethan-1-one is 212.98 g/mol.
Where can I buy 1-(3-Amino-4-bromophenyl)ethan-1-one?
You can request a quote for 1-(3-Amino-4-bromophenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Amino-4-bromophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Amino-4-bromophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.