Methyl 4-(p-nitrophenoxy)butyrate
TL;DR: Methyl 4-(p-nitrophenoxy)butyrate (CAS 28341-53-9) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-nitrophenoxy)butanoate
Also Known As: Methyl 4-(p-nitrophenoxy)butyrate, Methyl 4-(4-nitrophenoxy)butanoate, Methyl 4-(4-nitrophenoxy)butyrate, (4-Methylpiperazin-1-yl)aceticacid, Methyl 4-(4-nitrophenoxy)butanoate #
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 28341-53-9 |
|---|---|
| SMILES | COC(=O)CCCOC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MJMZBXYBWMBFNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(p-nitrophenoxy)butyrate (CAS 28341-53-9), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: methyl 4-(4-nitrophenoxy)butanoate.
Chemical Property Profile of Methyl 4-(p-nitrophenoxy)butyrate
Property Insights of Methyl 4-(p-nitrophenoxy)butyrate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(p-nitrophenoxy)butyrate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(p-nitrophenoxy)butyrate. Following Lipinski's Rule of Five, Methyl 4-(p-nitrophenoxy)butyrate has 0 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 Methyl 4-(p-nitrophenoxy)butyrate?
The CAS number of Methyl 4-(p-nitrophenoxy)butyrate is 28341-53-9.
What is the molecular formula of Methyl 4-(p-nitrophenoxy)butyrate?
The molecular formula of Methyl 4-(p-nitrophenoxy)butyrate is C11H13NO5.
What is the molecular weight of Methyl 4-(p-nitrophenoxy)butyrate?
The molecular weight of Methyl 4-(p-nitrophenoxy)butyrate is 239.08 g/mol.
Where can I buy Methyl 4-(p-nitrophenoxy)butyrate?
You can request a quote for Methyl 4-(p-nitrophenoxy)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(p-nitrophenoxy)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(p-nitrophenoxy)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.