4-Bromophenyl 4-nitrobenzoate
TL;DR: 4-Bromophenyl 4-nitrobenzoate (CAS 81923-90-2) 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-bromophenyl) 4-nitrobenzoate
Also Known As: 4-Bromophenyl 4-nitrobenzoate, p-Bromphenyl-p-nitrobenzoat, m-Methylbenzyl p-nitrobenzoate, phenol, 4-bromo-, 4-nitrobenzoate, (4-bromophenyl) 4-nitrobenzoate
| Molecular Formula | C13H8BrNO4 |
|---|---|
| Molecular Weight | 320.96 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.96368 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 81923-90-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)Br)[N+](=O)[O-] |
| InChIKey | PCSBEINDFQJBPT-UHFFFAOYSA-N |
Product Overview
4-Bromophenyl 4-nitrobenzoate (CAS 81923-90-2), with molecular formula C13H8BrNO4 and molecular weight 320.96 g/mol. IUPAC: (4-bromophenyl) 4-nitrobenzoate.
Chemical Property Profile of 4-Bromophenyl 4-nitrobenzoate
Property Insights of 4-Bromophenyl 4-nitrobenzoate
The XLogP value of 4.1 indicates that 4-Bromophenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromophenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-Bromophenyl 4-nitrobenzoate 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-Bromophenyl 4-nitrobenzoate?
The CAS number of 4-Bromophenyl 4-nitrobenzoate is 81923-90-2.
What is the molecular formula of 4-Bromophenyl 4-nitrobenzoate?
The molecular formula of 4-Bromophenyl 4-nitrobenzoate is C13H8BrNO4.
What is the molecular weight of 4-Bromophenyl 4-nitrobenzoate?
The molecular weight of 4-Bromophenyl 4-nitrobenzoate is 320.96 g/mol.
Where can I buy 4-Bromophenyl 4-nitrobenzoate?
You can request a quote for 4-Bromophenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.