![4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol structure](/static/products/888/88812-68-4.png)
4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol
TL;DR: 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol (CAS 88812-68-4) is a chemical compound with molecular formula C11H9BrN2O2 and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)iminomethyl]phenol
Also Known As: BAS 00656485, 4-bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol, 3-(2-hydroxy-5-bromo-benzylideneamino)-5-methylisoxazole, 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)iminomethyl]phenol, 4-Bromo-2-[(5-methyl-isoxazol-3-ylimino)-methyl]-phenol
| Molecular Formula | C11H9BrN2O2 |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.98474 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 88812-68-4 |
|---|---|
| SMILES | CC1=CC(=NO1)N=CC2=C(C=CC(=C2)Br)O |
| InChIKey | FPFBEVQHLLUVKZ-UHFFFAOYSA-N |
Product Overview
4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol (CAS 88812-68-4), with molecular formula C11H9BrN2O2 and molecular weight 279.98 g/mol. IUPAC: 4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)iminomethyl]phenol.
Chemical Property Profile of 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol
Property Insights of 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol. With a topological polar surface area (TPSA) of 58.6 Ų, 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol 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 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol?
The CAS number of 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol is 88812-68-4.
What is the molecular formula of 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol?
The molecular formula of 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol is C11H9BrN2O2.
What is the molecular weight of 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol?
The molecular weight of 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol is 279.98 g/mol.
Where can I buy 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol?
You can request a quote for 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-{[(5-methyl-3-isoxazolyl)imino]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.