![3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid structure](/static/products/6322/6322-36-7.webp)
3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
TL;DR: 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid (CAS 6322-36-7) is a chemical compound with molecular formula C17H14BrNO5 and molecular weight 391.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
Also Known As: 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid, bromoacetyl-carbamic acid ethyl ester
| Molecular Formula | C17H14BrNO5 |
|---|---|
| Molecular Weight | 391.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.00555 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 6322-36-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C(C(=O)C2=CC=CC=C2)Br)C(=O)O)[N+](=O)[O-] |
| InChIKey | LQPOHKIFSNKCPV-UHFFFAOYSA-N |
Product Overview
3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid (CAS 6322-36-7), with molecular formula C17H14BrNO5 and molecular weight 391.01 g/mol. IUPAC: 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
Property Insights of 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid
The XLogP value of 3.5 indicates that 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid 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-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
The CAS number of 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid is 6322-36-7.
What is the molecular formula of 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
The molecular formula of 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid is C17H14BrNO5.
What is the molecular weight of 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
The molecular weight of 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid is 391.01 g/mol.
Where can I buy 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
You can request a quote for 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.