4-(3-Formyl-4-nitro-phenoxy)-butyric acid
TL;DR: 4-(3-Formyl-4-nitro-phenoxy)-butyric acid (CAS 94193-36-9) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-formyl-4-nitrophenoxy)butanoic acid
Also Known As: 4-(3-Formyl-4-nitro-phenoxy)-butyric acid, 4-(3-formyl-4-nitrophenoxy)butanoic acid, tetramethylethyleneoxide, 4- -BUTYRICACID, 4-(3-formyl-4-nitrophenoxy)butyric acid
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.6509 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 470.6013 |
Chemical Identifiers
| CAS Number | 94193-36-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1OCCCC(=O)O)C=O)[N+](=O)[O-] |
Product Overview
4-(3-Formyl-4-nitro-phenoxy)-butyric acid (CAS 94193-36-9), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: 4-(3-formyl-4-nitrophenoxy)butanoic acid.
Chemical Property Profile of 4-(3-Formyl-4-nitro-phenoxy)-butyric acid
Property Insights of 4-(3-Formyl-4-nitro-phenoxy)-butyric acid
The XLogP value of 1.6509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Formyl-4-nitro-phenoxy)-butyric acid. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Formyl-4-nitro-phenoxy)-butyric acid. Following Lipinski's Rule of Five, 4-(3-Formyl-4-nitro-phenoxy)-butyric 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-(3-Formyl-4-nitro-phenoxy)-butyric acid?
The CAS number of 4-(3-Formyl-4-nitro-phenoxy)-butyric acid is 94193-36-9.
What is the molecular formula of 4-(3-Formyl-4-nitro-phenoxy)-butyric acid?
The molecular formula of 4-(3-Formyl-4-nitro-phenoxy)-butyric acid is C11H11NO6.
What is the molecular weight of 4-(3-Formyl-4-nitro-phenoxy)-butyric acid?
The molecular weight of 4-(3-Formyl-4-nitro-phenoxy)-butyric acid is 253.06 g/mol.
Where can I buy 4-(3-Formyl-4-nitro-phenoxy)-butyric acid?
You can request a quote for 4-(3-Formyl-4-nitro-phenoxy)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Formyl-4-nitro-phenoxy)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Formyl-4-nitro-phenoxy)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.