4-溴-2-硝基苯乙酸
TL;DR: 4-溴-2-硝基苯乙酸 (CAS 1105067-88-6) is a chemical compound with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴-2-硝基苯乙酸
2-(4-bromo-2-nitrophenyl)acetic acid
Also Known As: 2-(4-bromo-2-nitrophenyl)acetic acid, 4-Bromo-2-nitrophenylacetic acid, (4-bromo-2-nitrophenyl)acetic acid, GinkgolideJ, (4-BROMO-2-NITRO-PHENYL)-ACETIC ACID
| Molecular Formula | C8H6BrNO4 |
|---|---|
| Molecular Weight | 258.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.94803 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 1105067-88-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O |
| InChIKey | LBZPHZBNFDOCCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-溴-2-硝基苯乙酸 (CAS 1105067-88-6), with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol. IUPAC: 2-(4-bromo-2-nitrophenyl)acetic acid.
Chemical Property Profile of 4-溴-2-硝基苯乙酸
Property Insights of 4-溴-2-硝基苯乙酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴-2-硝基苯乙酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-溴-2-硝基苯乙酸. Following Lipinski's Rule of Five, 4-溴-2-硝基苯乙酸 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 4-溴-2-硝基苯乙酸?
The CAS number of 4-溴-2-硝基苯乙酸 is 1105067-88-6.
What is the molecular formula of 4-溴-2-硝基苯乙酸?
The molecular formula of 4-溴-2-硝基苯乙酸 is C8H6BrNO4.
What is the molecular weight of 4-溴-2-硝基苯乙酸?
The molecular weight of 4-溴-2-硝基苯乙酸 is 258.95 g/mol.
Where can I buy 4-溴-2-硝基苯乙酸?
You can request a quote for 4-溴-2-硝基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴-2-硝基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-溴-2-硝基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.