3-Bromo-4-hydroxy-5-nitrophenyl benzoate
TL;DR: 3-Bromo-4-hydroxy-5-nitrophenyl benzoate (CAS 664967-38-8) is a chemical compound with molecular formula C13H8BrNO5 and molecular weight 336.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-4-hydroxy-5-nitrophenyl) benzoate
Also Known As: 3-bromo-4-hydroxy-5-nitrophenyl benzoate, (3-bromo-4-hydroxy-5-nitrophenyl) benzoate, AJ-087/41885613
| Molecular Formula | C13H8BrNO5 |
|---|---|
| Molecular Weight | 336.96 g/mol |
| LogP | 3.2821 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.9586 |
| Heavy Atoms | 20 |
| Complexity | 671.9618 |
Chemical Identifiers
| CAS Number | 664967-38-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-] |
Product Overview
3-Bromo-4-hydroxy-5-nitrophenyl benzoate (CAS 664967-38-8), with molecular formula C13H8BrNO5 and molecular weight 336.96 g/mol. IUPAC: (3-bromo-4-hydroxy-5-nitrophenyl) benzoate.
Chemical Property Profile of 3-Bromo-4-hydroxy-5-nitrophenyl benzoate
Property Insights of 3-Bromo-4-hydroxy-5-nitrophenyl benzoate
The XLogP value of 3.2821 indicates that 3-Bromo-4-hydroxy-5-nitrophenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4-hydroxy-5-nitrophenyl benzoate. Following Lipinski's Rule of Five, 3-Bromo-4-hydroxy-5-nitrophenyl benzoate 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 3-Bromo-4-hydroxy-5-nitrophenyl benzoate?
The CAS number of 3-Bromo-4-hydroxy-5-nitrophenyl benzoate is 664967-38-8.
What is the molecular formula of 3-Bromo-4-hydroxy-5-nitrophenyl benzoate?
The molecular formula of 3-Bromo-4-hydroxy-5-nitrophenyl benzoate is C13H8BrNO5.
What is the molecular weight of 3-Bromo-4-hydroxy-5-nitrophenyl benzoate?
The molecular weight of 3-Bromo-4-hydroxy-5-nitrophenyl benzoate is 336.96 g/mol.
Where can I buy 3-Bromo-4-hydroxy-5-nitrophenyl benzoate?
You can request a quote for 3-Bromo-4-hydroxy-5-nitrophenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-hydroxy-5-nitrophenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-hydroxy-5-nitrophenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.