Benzoxazole, 2-((4-bromophenyl)methyl)-
TL;DR: Benzoxazole, 2-((4-bromophenyl)methyl)- (CAS 76284-87-2) is a chemical compound with molecular formula C14H10BrNO and molecular weight 286.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methyl]-1,3-benzoxazole
Also Known As: 2-(4-bromobenzyl)benzo[d]oxazole, 2-[ methyl]benzooxazole, 2-[(4-bromophenyl)methyl]-1,3-benzoxazole, 2-(4-Bromobenzyl)benzoxazole, Benzoxazole, 2-((4-bromophenyl)methyl)-
| Molecular Formula | C14H10BrNO |
|---|---|
| Molecular Weight | 286.99 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.99457 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 76284-87-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)CC3=CC=C(C=C3)Br |
| InChIKey | GAKVIUPIYZMQBR-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-((4-bromophenyl)methyl)- (CAS 76284-87-2), with molecular formula C14H10BrNO and molecular weight 286.99 g/mol. IUPAC: 2-[(4-bromophenyl)methyl]-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-((4-bromophenyl)methyl)-
Property Insights of Benzoxazole, 2-((4-bromophenyl)methyl)-
The XLogP value of 4.4 indicates that Benzoxazole, 2-((4-bromophenyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 2-((4-bromophenyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-((4-bromophenyl)methyl)- has 0 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 Benzoxazole, 2-((4-bromophenyl)methyl)-?
The CAS number of Benzoxazole, 2-((4-bromophenyl)methyl)- is 76284-87-2.
What is the molecular formula of Benzoxazole, 2-((4-bromophenyl)methyl)-?
The molecular formula of Benzoxazole, 2-((4-bromophenyl)methyl)- is C14H10BrNO.
What is the molecular weight of Benzoxazole, 2-((4-bromophenyl)methyl)-?
The molecular weight of Benzoxazole, 2-((4-bromophenyl)methyl)- is 286.99 g/mol.
Where can I buy Benzoxazole, 2-((4-bromophenyl)methyl)-?
You can request a quote for Benzoxazole, 2-((4-bromophenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-((4-bromophenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-((4-bromophenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.