2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine
TL;DR: 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine (CAS 354561-72-1) is a chemical compound with molecular formula C14H11BrN2O and molecular weight 302.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-amine
Also Known As: 2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-amine, 2-(4-Bromo-3-methyl-phenyl)-1,3-benzoxazol-5-amine, 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine, 2-(4-bromo-3-methylphenyl)benzo[d]oxazol-5-amine, 2-(4-bromo-3-methylphenyl)benzoxazole-5-ylamine
| Molecular Formula | C14H11BrN2O |
|---|---|
| Molecular Weight | 302.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.0055 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 354561-72-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N)Br |
| InChIKey | QDCMDSTYXXIQNH-UHFFFAOYSA-N |
Product Overview
2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine (CAS 354561-72-1), with molecular formula C14H11BrN2O and molecular weight 302.01 g/mol. IUPAC: 2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-amine.
Chemical Property Profile of 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine
Property Insights of 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine
The XLogP value of 3.8 indicates that 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine 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 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine?
The CAS number of 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine is 354561-72-1.
What is the molecular formula of 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine?
The molecular formula of 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine is C14H11BrN2O.
What is the molecular weight of 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine?
The molecular weight of 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine is 302.01 g/mol.
Where can I buy 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine?
You can request a quote for 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.