![Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester structure](/static/products/130/130707-80-1.png)
Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester
TL;DR: Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester (CAS 130707-80-1) is a chemical compound with molecular formula C11H12BrNO4 and molecular weight 300.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-4-(4-nitrophenyl)butanoate
Also Known As: Methyl 2-bromo-4-(4-nitrophenyl)butanoate, Methyl 2-bromo-4-(4-nitrophenyl)butanoate #, Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester, d,l-2-bromo-4-(4-nitrophenyl)butanoic acid methyl ester, 4-(4-Nitrophenyl)-2-bromobutanoic acid methyl ester
| Molecular Formula | C11H12BrNO4 |
|---|---|
| Molecular Weight | 300.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.99496 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 130707-80-1 |
|---|---|
| SMILES | COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])Br |
| InChIKey | UGERYMGNFYYVJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester (CAS 130707-80-1), with molecular formula C11H12BrNO4 and molecular weight 300.99 g/mol. IUPAC: methyl 2-bromo-4-(4-nitrophenyl)butanoate.
Chemical Property Profile of Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester
Property Insights of Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester
The XLogP value of 3.1 indicates that Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester. Following Lipinski's Rule of Five, Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester 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 Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester?
The CAS number of Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester is 130707-80-1.
What is the molecular formula of Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester?
The molecular formula of Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester is C11H12BrNO4.
What is the molecular weight of Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester?
The molecular weight of Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester is 300.99 g/mol.
Where can I buy Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester?
You can request a quote for Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2-bromo-4-[4-nitrophenyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.