4-羟基-3-硝基苯乙酸
TL;DR: 4-羟基-3-硝基苯乙酸 (CAS 929709-59-1) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-3-硝基苯乙酸
2-(4-hydroxy-3-nitrophenyl)acetic acid
Also Known As: 4-Hydroxy-3-nitrophenylacetic acid, 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID, Hapten NP, NP-Hapten, (4-hydroxy-3-nitrophenyl)acetic acid
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 929709-59-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O |
| InChIKey | QBHBHOSRLDPIHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-3-硝基苯乙酸 (CAS 929709-59-1), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 2-(4-hydroxy-3-nitrophenyl)acetic acid.
Chemical Property Profile of 4-羟基-3-硝基苯乙酸
Property Insights of 4-羟基-3-硝基苯乙酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-3-硝基苯乙酸. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟基-3-硝基苯乙酸. Following Lipinski's Rule of Five, 4-羟基-3-硝基苯乙酸 has 2 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 4-羟基-3-硝基苯乙酸?
The CAS number of 4-羟基-3-硝基苯乙酸 is 929709-59-1.
What is the molecular formula of 4-羟基-3-硝基苯乙酸?
The molecular formula of 4-羟基-3-硝基苯乙酸 is C8H7NO5.
What is the molecular weight of 4-羟基-3-硝基苯乙酸?
The molecular weight of 4-羟基-3-硝基苯乙酸 is 197.03 g/mol.
Where can I buy 4-羟基-3-硝基苯乙酸?
You can request a quote for 4-羟基-3-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-羟基-3-硝基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3-硝基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.