4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid
TL;DR: 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid (CAS 2495-79-6) is a chemical compound with molecular formula C17H15NO7 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-oxopropanoic acid
Also Known As: 4-BENZYLOXY-3-METHOXY-6-NITROPHENYLPYRUVIC ACID, 3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-oxopropanoic acid, 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvicAcid, 4-Benzyloxy-5-methoxy-2-nitro-phenylbrenztraubensaeure, 3-[4-(Benzyloxy)-5-methoxy-2-nitrophenyl]-2-oxopropanoic acid
| Molecular Formula | C17H15NO7 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.3786 |
| Topological Polar Surface Area | 115.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.08484 |
| Heavy Atoms | 25 |
| Complexity | 802.1437 |
Chemical Identifiers
| CAS Number | 2495-79-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)C(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2 |
Product Overview
4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid (CAS 2495-79-6), with molecular formula C17H15NO7 and molecular weight 345.08 g/mol. IUPAC: 3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-oxopropanoic acid.
Chemical Property Profile of 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid
Property Insights of 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid
The XLogP value of 2.3786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid. The TPSA of 115.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid. Following Lipinski's Rule of Five, 4-Benzyloxy-3-methoxy-6-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 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid?
The CAS number of 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid is 2495-79-6.
What is the molecular formula of 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid?
The molecular formula of 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid is C17H15NO7.
What is the molecular weight of 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid?
The molecular weight of 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid is 345.08 g/mol.
Where can I buy 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid?
You can request a quote for 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxy-3-methoxy-6-nitrophenylpyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.