5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole
TL;DR: 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole (CAS 385388-12-5) is a chemical compound with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole
Also Known As: 5-bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole, AB01333890-02, 4-(5-bromobenzo[c]isoxazol-3-yl)-1,2-dimethoxybenzene, A4045/0172525, 4-(5-bromo-2,1-benzisoxazol-3-yl)-2-methoxyphenyl methyl ether
| Molecular Formula | C15H12BrNO3 |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 4.2745 |
| Topological Polar Surface Area | 44.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.00006 |
| Heavy Atoms | 20 |
| Complexity | 766.89966 |
Chemical Identifiers
| CAS Number | 385388-12-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NO2)Br)OC |
Product Overview
5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole (CAS 385388-12-5), with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol. IUPAC: 5-bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole.
Chemical Property Profile of 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole
Property Insights of 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole
The XLogP value of 4.2745 indicates that 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.49 Ų, 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole has 0 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 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole?
The CAS number of 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole is 385388-12-5.
What is the molecular formula of 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole?
The molecular formula of 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole is C15H12BrNO3.
What is the molecular weight of 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole?
The molecular weight of 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole is 333.00 g/mol.
Where can I buy 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole?
You can request a quote for 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-(3,4-dimethoxyphenyl)-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.