![2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile structure](/static/products/606/606948-96-3.png)
2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile
TL;DR: 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile (CAS 606948-96-3) is a chemical compound with molecular formula C18H13BrFN3O2 and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenoxy)methyl]-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile
Also Known As: 2-[(4-bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile, 2-((4-bromophenoxy)methyl)-5-((4-fluorobenzyl)amino)oxazole-4-carbonitrile, 2-[(4-bromophenoxy)methyl]-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C18H13BrFN3O2 |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 4.63898 |
| Topological Polar Surface Area | 71.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.01752 |
| Heavy Atoms | 25 |
| Complexity | 886.1798 |
Chemical Identifiers
| CAS Number | 606948-96-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=C(N=C(O2)COC3=CC=C(C=C3)Br)C#N)F |
Product Overview
2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile (CAS 606948-96-3), with molecular formula C18H13BrFN3O2 and molecular weight 401.02 g/mol. IUPAC: 2-[(4-bromophenoxy)methyl]-5-[(4-fluorophenyl)methylamino]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile
Property Insights of 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile
The XLogP value of 4.63898 indicates that 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 5 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-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile?
The CAS number of 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile is 606948-96-3.
What is the molecular formula of 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile is C18H13BrFN3O2.
What is the molecular weight of 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile is 401.02 g/mol.
Where can I buy 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromophenoxy)methyl]-5-[(4-fluorobenzyl)amino]-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.