5-Benzyloxy-2-nitrophenylpyruvic acid
TL;DR: 5-Benzyloxy-2-nitrophenylpyruvic acid (CAS 22552-62-1) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitro-5-phenylmethoxyphenyl)-2-oxopropanoic acid
Also Known As: 5-Benzyloxy-2-nitrophenylpyruvic acid, (R)-3,5-XYLYL-BINAP, 5-Benzyloxy-2-nitrophenylpyruvic acid-, 3-(2-nitro-5-phenylmethoxyphenyl)-2-oxopropanoic acid, 3-[5-(Benzyloxy)-2-nitrophenyl]-2-oxopropanoic acid
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 22552-62-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)C(=O)O |
| InChIKey | SPYNICUJKSZDMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzyloxy-2-nitrophenylpyruvic acid (CAS 22552-62-1), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: 3-(2-nitro-5-phenylmethoxyphenyl)-2-oxopropanoic acid.
Chemical Property Profile of 5-Benzyloxy-2-nitrophenylpyruvic acid
Property Insights of 5-Benzyloxy-2-nitrophenylpyruvic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyloxy-2-nitrophenylpyruvic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyloxy-2-nitrophenylpyruvic acid. Following Lipinski's Rule of Five, 5-Benzyloxy-2-nitrophenylpyruvic acid has 1 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 5-Benzyloxy-2-nitrophenylpyruvic acid?
The CAS number of 5-Benzyloxy-2-nitrophenylpyruvic acid is 22552-62-1.
What is the molecular formula of 5-Benzyloxy-2-nitrophenylpyruvic acid?
The molecular formula of 5-Benzyloxy-2-nitrophenylpyruvic acid is C16H13NO6.
What is the molecular weight of 5-Benzyloxy-2-nitrophenylpyruvic acid?
The molecular weight of 5-Benzyloxy-2-nitrophenylpyruvic acid is 315.07 g/mol.
Where can I buy 5-Benzyloxy-2-nitrophenylpyruvic acid?
You can request a quote for 5-Benzyloxy-2-nitrophenylpyruvic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyloxy-2-nitrophenylpyruvic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyloxy-2-nitrophenylpyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.