2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid
TL;DR: 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid (CAS 99358-35-7) is a chemical compound with molecular formula C9H9NO6 and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid
Also Known As: 2-hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid, Lactic acid, 3-(4-hydroxy-3-nitrophenyl)-, Benzenepropanoic acid, alpha,4-dihydroxy-3-nitro-, 2-hydroxy-3-(4-hydroxy-3-nitro-phenyl)propanoic Acid
| Molecular Formula | C9H9NO6 |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.04298 |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 99358-35-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)O)O)[N+](=O)[O-])O |
| InChIKey | ZXWKIFIDQMWMKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid (CAS 99358-35-7), with molecular formula C9H9NO6 and molecular weight 227.04 g/mol. IUPAC: 2-hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid.
Chemical Property Profile of 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid
Property Insights of 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid has 3 hydrogen bond donor(s) and 6 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-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid?
The CAS number of 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid is 99358-35-7.
What is the molecular formula of 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid?
The molecular formula of 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid is C9H9NO6.
What is the molecular weight of 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid?
The molecular weight of 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid is 227.04 g/mol.
Where can I buy 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid?
You can request a quote for 2-Hydroxy-3-(4-hydroxy-3-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-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.