(4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid
TL;DR: (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid (CAS 92964-17-5) is a chemical compound with molecular formula C16H15NO6 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)acetic acid
Also Known As: (4-benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid, [4-(benzyloxy)-5-methoxy-2-nitrophenyl]acetic acid, 2-(4-(Benzyloxy)-5-methoxy-2-nitrophenyl)acetic acid, 2-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)acetic Acid, 2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)acetic acid
| Molecular Formula | C16H15NO6 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.8095 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.08994 |
| Heavy Atoms | 23 |
| Complexity | 714.01044 |
Chemical Identifiers
| CAS Number | 92964-17-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2 |
Product Overview
(4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid (CAS 92964-17-5), with molecular formula C16H15NO6 and molecular weight 317.09 g/mol. IUPAC: 2-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)acetic acid.
Chemical Property Profile of (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid
Property Insights of (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid
The XLogP value of 2.8095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid. Following Lipinski's Rule of Five, (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid has 1 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-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid?
The CAS number of (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid is 92964-17-5.
What is the molecular formula of (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid?
The molecular formula of (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid is C16H15NO6.
What is the molecular weight of (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid?
The molecular weight of (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid is 317.09 g/mol.
Where can I buy (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid?
You can request a quote for (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic 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-5-methoxy-2-nitro-phenyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzyloxy-5-methoxy-2-nitro-phenyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.