2-Bromobenzaldehyde oxime
TL;DR: 2-Bromobenzaldehyde oxime (CAS 52707-51-4) is a chemical compound with molecular formula C7H6BrNO and molecular weight 198.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-bromophenyl)methylidene]hydroxylamine
Also Known As: 2-Bromobenzaldoxime, 2-bromobenzaldehyde oxime, Benzaldehyde, 2-bromo-,oxime, (E)-2-bromobenzaldehyde oxime, Benzaldehyde, 2-bromo-, oxime
| Molecular Formula | C7H6BrNO |
|---|---|
| Molecular Weight | 198.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.96329 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 52707-51-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NO)Br |
| InChIKey | PSIRFUPZHPEKAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromobenzaldehyde oxime (CAS 52707-51-4), with molecular formula C7H6BrNO and molecular weight 198.96 g/mol. IUPAC: N-[(2-bromophenyl)methylidene]hydroxylamine.
Chemical Property Profile of 2-Bromobenzaldehyde oxime
Property Insights of 2-Bromobenzaldehyde oxime
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromobenzaldehyde oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 2-Bromobenzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobenzaldehyde oxime 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 2-Bromobenzaldehyde oxime?
The CAS number of 2-Bromobenzaldehyde oxime is 52707-51-4.
What is the molecular formula of 2-Bromobenzaldehyde oxime?
The molecular formula of 2-Bromobenzaldehyde oxime is C7H6BrNO.
What is the molecular weight of 2-Bromobenzaldehyde oxime?
The molecular weight of 2-Bromobenzaldehyde oxime is 198.96 g/mol.
Where can I buy 2-Bromobenzaldehyde oxime?
You can request a quote for 2-Bromobenzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromobenzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromobenzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.