Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-
TL;DR: Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- (CAS 250592-93-9) is a chemical compound with molecular formula C10H11BrN2O and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline
Also Known As: 4-bromo-2-(4,5-dihydroisoxazol-3-yl)-3-methylaniline, 4-bromo-2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline, Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-, 4-bromo-2-(4,5-dihydro-isoxazol-3-yl)-3-methylaniline, 4-bromo-2-(4,5-dihydroisoxazol-3-yl) -3-methylaniline
| Molecular Formula | C10H11BrN2O |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 2.46412 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.00548 |
| Heavy Atoms | 14 |
| Complexity | 401.35364 |
Chemical Identifiers
| CAS Number | 250592-93-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C2=NOCC2)N)Br |
Product Overview
Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- (CAS 250592-93-9), with molecular formula C10H11BrN2O and molecular weight 254.01 g/mol. IUPAC: 4-bromo-2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline.
Chemical Property Profile of Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-
Property Insights of Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-
The XLogP value of 2.46412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-. With a topological polar surface area (TPSA) of 47.61 Ų, Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- has 1 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 Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-?
The CAS number of Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- is 250592-93-9.
What is the molecular formula of Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-?
The molecular formula of Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- is C10H11BrN2O.
What is the molecular weight of Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-?
The molecular weight of Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- is 254.01 g/mol.
Where can I buy Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-?
You can request a quote for Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.