4-Nitrophenyl 4-bromobenzoate
TL;DR: 4-Nitrophenyl 4-bromobenzoate (CAS 35666-13-8) is a chemical compound with molecular formula C13H8BrNO4 and molecular weight 320.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-bromobenzoate
Also Known As: 4-nitrophenyl 4-bromobenzoate, (4-nitrophenyl) 4-bromobenzoate, 4-Bromobenzoic acid 4-nitrophenyl ester, 4-Bromobenzoic acid (4-nitrophenyl) ester, J2.985.236G
| Molecular Formula | C13H8BrNO4 |
|---|---|
| Molecular Weight | 320.96 g/mol |
| LogP | 3.5765 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.96368 |
| Heavy Atoms | 19 |
| Complexity | 607.5453 |
Chemical Identifiers
| CAS Number | 35666-13-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Br |
Product Overview
4-Nitrophenyl 4-bromobenzoate (CAS 35666-13-8), with molecular formula C13H8BrNO4 and molecular weight 320.96 g/mol. IUPAC: (4-nitrophenyl) 4-bromobenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-bromobenzoate
Property Insights of 4-Nitrophenyl 4-bromobenzoate
The XLogP value of 3.5765 indicates that 4-Nitrophenyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-bromobenzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-bromobenzoate 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 4-Nitrophenyl 4-bromobenzoate?
The CAS number of 4-Nitrophenyl 4-bromobenzoate is 35666-13-8.
What is the molecular formula of 4-Nitrophenyl 4-bromobenzoate?
The molecular formula of 4-Nitrophenyl 4-bromobenzoate is C13H8BrNO4.
What is the molecular weight of 4-Nitrophenyl 4-bromobenzoate?
The molecular weight of 4-Nitrophenyl 4-bromobenzoate is 320.96 g/mol.
Where can I buy 4-Nitrophenyl 4-bromobenzoate?
You can request a quote for 4-Nitrophenyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.