3-Bromo-3-(3-nitrophenyl)propionic acid
TL;DR: 3-Bromo-3-(3-nitrophenyl)propionic acid (CAS 62327-78-0) is a chemical compound with molecular formula C9H8BrNO4 and molecular weight 272.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-3-(3-nitrophenyl)propanoic acid
Also Known As: 3-Bromo-3-(3-nitrophenyl)propanoic acid, 3-bromo-3-(3-nitro-phenyl)-propionic acid, 3-Bromo-3-(3-nitrophenyl)propanoic acid #, 3-BROMO-3-(3-NITROPHENYL)PROPIONIC ACID, Benzenepropanoic acid, .beta.-bromo-3-nitro-
| Molecular Formula | C9H8BrNO4 |
|---|---|
| Molecular Weight | 272.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.96368 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 62327-78-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)O)Br |
| InChIKey | DEKRYHWYJDKPOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-3-(3-nitrophenyl)propionic acid (CAS 62327-78-0), with molecular formula C9H8BrNO4 and molecular weight 272.96 g/mol. IUPAC: 3-bromo-3-(3-nitrophenyl)propanoic acid.
Chemical Property Profile of 3-Bromo-3-(3-nitrophenyl)propionic acid
Property Insights of 3-Bromo-3-(3-nitrophenyl)propionic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-3-(3-nitrophenyl)propionic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-3-(3-nitrophenyl)propionic acid. Following Lipinski's Rule of Five, 3-Bromo-3-(3-nitrophenyl)propionic acid has 1 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 3-Bromo-3-(3-nitrophenyl)propionic acid?
The CAS number of 3-Bromo-3-(3-nitrophenyl)propionic acid is 62327-78-0.
What is the molecular formula of 3-Bromo-3-(3-nitrophenyl)propionic acid?
The molecular formula of 3-Bromo-3-(3-nitrophenyl)propionic acid is C9H8BrNO4.
What is the molecular weight of 3-Bromo-3-(3-nitrophenyl)propionic acid?
The molecular weight of 3-Bromo-3-(3-nitrophenyl)propionic acid is 272.96 g/mol.
Where can I buy 3-Bromo-3-(3-nitrophenyl)propionic acid?
You can request a quote for 3-Bromo-3-(3-nitrophenyl)propionic 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-3-(3-nitrophenyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-3-(3-nitrophenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.