4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol
TL;DR: 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol (CAS 530153-87-8) is a chemical compound with molecular formula C13H9BrN2O2 and molecular weight 303.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-amino-1,3-benzoxazol-2-yl)-2-bromophenol
Also Known As: ASISCHEM U66539, 4-(5-amino-1,3-benzoxazol-2-yl)-2-bromophenol, 4-(5-amino-3H-1,3-benzoxazol-2-ylidene)-2-bromocyclohexa-2,5-dien-1-one, (4Z)-4-(5-amino-3H-1,3-benzoxazol-2-ylidene)-2-bromocyclohexa-2,5-dien-1-one
| Molecular Formula | C13H9BrN2O2 |
|---|---|
| Molecular Weight | 303.98 g/mol |
| LogP | 3.5451 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.98474 |
| Heavy Atoms | 18 |
| Complexity | 736.9345 |
Chemical Identifiers
| CAS Number | 530153-87-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=NC3=C(O2)C=CC(=C3)N)Br)O |
Product Overview
4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol (CAS 530153-87-8), with molecular formula C13H9BrN2O2 and molecular weight 303.98 g/mol. IUPAC: 4-(5-amino-1,3-benzoxazol-2-yl)-2-bromophenol.
Chemical Property Profile of 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol
Property Insights of 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol
The XLogP value of 3.5451 indicates that 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol. Following Lipinski's Rule of Five, 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol has 2 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 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol?
The CAS number of 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol is 530153-87-8.
What is the molecular formula of 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol?
The molecular formula of 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol is C13H9BrN2O2.
What is the molecular weight of 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol?
The molecular weight of 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol is 303.98 g/mol.
Where can I buy 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol?
You can request a quote for 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Amino-1,3-benzoxazol-2-yl)-2-bromophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.