3-Bromo-4,5-diethoxybenzaldehyde oxime
TL;DR: 3-Bromo-4,5-diethoxybenzaldehyde oxime (CAS 445013-98-9) is a chemical compound with molecular formula C11H14BrNO3 and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(3-bromo-4,5-diethoxyphenyl)methylidene]hydroxylamine
Also Known As: 3-bromo-4,5-diethoxybenzaldehyde oxime, (3-bromo-4,5-diethoxyphenyl)(hydroxyimino)methane, (E)-1-(3-bromo-4,5-diethoxyphenyl)-N-hydroxymethanimine
| Molecular Formula | C11H14BrNO3 |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 3.0546 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.01572 |
| Heavy Atoms | 16 |
| Complexity | 379.73758 |
Chemical Identifiers
| CAS Number | 445013-98-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=N/O)Br)OCC |
Product Overview
3-Bromo-4,5-diethoxybenzaldehyde oxime (CAS 445013-98-9), with molecular formula C11H14BrNO3 and molecular weight 287.02 g/mol. IUPAC: (NE)-N-[(3-bromo-4,5-diethoxyphenyl)methylidene]hydroxylamine.
Chemical Property Profile of 3-Bromo-4,5-diethoxybenzaldehyde oxime
Property Insights of 3-Bromo-4,5-diethoxybenzaldehyde oxime
The XLogP value of 3.0546 indicates that 3-Bromo-4,5-diethoxybenzaldehyde oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.05 Ų, 3-Bromo-4,5-diethoxybenzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4,5-diethoxybenzaldehyde oxime has 1 hydrogen bond donor(s) and 4 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 3-Bromo-4,5-diethoxybenzaldehyde oxime?
The CAS number of 3-Bromo-4,5-diethoxybenzaldehyde oxime is 445013-98-9.
What is the molecular formula of 3-Bromo-4,5-diethoxybenzaldehyde oxime?
The molecular formula of 3-Bromo-4,5-diethoxybenzaldehyde oxime is C11H14BrNO3.
What is the molecular weight of 3-Bromo-4,5-diethoxybenzaldehyde oxime?
The molecular weight of 3-Bromo-4,5-diethoxybenzaldehyde oxime is 287.02 g/mol.
Where can I buy 3-Bromo-4,5-diethoxybenzaldehyde oxime?
You can request a quote for 3-Bromo-4,5-diethoxybenzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4,5-diethoxybenzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4,5-diethoxybenzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.