2,3-Dibromo-3-(2-nitrophenyl)propanoic acid
TL;DR: 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid (CAS 70321-33-4) is a chemical compound with molecular formula C9H7Br2NO4 and molecular weight 350.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromo-3-(2-nitrophenyl)propanoic acid
Also Known As: 2,3-dibromo-3-(2-nitrophenyl)propanoic acid, NCI60_002049, ALPHA,BETA-DIBROMO-2-NITROHYDROCINNAMIC ACID, 2,3-dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid
| Molecular Formula | C9H7Br2NO4 |
|---|---|
| Molecular Weight | 350.87 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.87418 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 70321-33-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C(C(=O)O)Br)Br)[N+](=O)[O-] |
| InChIKey | ZZBGCCIQPYEBFF-UHFFFAOYSA-N |
Product Overview
2,3-Dibromo-3-(2-nitrophenyl)propanoic acid (CAS 70321-33-4), with molecular formula C9H7Br2NO4 and molecular weight 350.87 g/mol. IUPAC: 2,3-dibromo-3-(2-nitrophenyl)propanoic acid.
Chemical Property Profile of 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid
Property Insights of 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, 2,3-Dibromo-3-(2-nitrophenyl)propanoic 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 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid?
The CAS number of 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid is 70321-33-4.
What is the molecular formula of 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid?
The molecular formula of 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid is C9H7Br2NO4.
What is the molecular weight of 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid?
The molecular weight of 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid is 350.87 g/mol.
Where can I buy 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid?
You can request a quote for 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromo-3-(2-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.