Methyl 4-(4-nitrophenyl)butanoate
TL;DR: Methyl 4-(4-nitrophenyl)butanoate (CAS 20637-02-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-nitrophenyl)butanoate
Also Known As: Methyl 4-(4-nitrophenyl)butanoate, 4-(4-Nitrophenyl)butanoic acid methyl ester, Methyl4-(4-nitrophenyl)butanoate, Benzenebutanoic acid, 4-nitro-, methyl ester, 0581AB
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 20637-02-9 |
|---|---|
| SMILES | COC(=O)CCCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | IIDUVWAKHMUVPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(4-nitrophenyl)butanoate (CAS 20637-02-9), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: methyl 4-(4-nitrophenyl)butanoate.
Chemical Property Profile of Methyl 4-(4-nitrophenyl)butanoate
Property Insights of Methyl 4-(4-nitrophenyl)butanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-nitrophenyl)butanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-nitrophenyl)butanoate. Following Lipinski's Rule of Five, Methyl 4-(4-nitrophenyl)butanoate has 0 hydrogen bond donor(s) and 4 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-(4-nitrophenyl)butanoate?
The CAS number of Methyl 4-(4-nitrophenyl)butanoate is 20637-02-9.
What is the molecular formula of Methyl 4-(4-nitrophenyl)butanoate?
The molecular formula of Methyl 4-(4-nitrophenyl)butanoate is C11H13NO4.
What is the molecular weight of Methyl 4-(4-nitrophenyl)butanoate?
The molecular weight of Methyl 4-(4-nitrophenyl)butanoate is 223.08 g/mol.
Where can I buy Methyl 4-(4-nitrophenyl)butanoate?
You can request a quote for Methyl 4-(4-nitrophenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-nitrophenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-nitrophenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.