Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate
TL;DR: Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate (CAS 5105-16-8) is a chemical compound with molecular formula C11H11BrN2O5 and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate
Also Known As: methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate, methyl 4-[(2-bromo-4-nitrophenyl)amino]-4-oxobutanoate, AB00073707-01, methyl 3-[N-(2-bromo-4-nitrophenyl)carbamoyl]propanoate
| Molecular Formula | C11H11BrN2O5 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 2.249 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.98514 |
| Heavy Atoms | 19 |
| Complexity | 517.80707 |
Chemical Identifiers
| CAS Number | 5105-16-8 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br |
Product Overview
Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate (CAS 5105-16-8), with molecular formula C11H11BrN2O5 and molecular weight 329.99 g/mol. IUPAC: methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate
Property Insights of Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate
The XLogP value of 2.249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate 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 Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate?
The CAS number of Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate is 5105-16-8.
What is the molecular formula of Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate?
The molecular formula of Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate is C11H11BrN2O5.
What is the molecular weight of Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate?
The molecular weight of Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate is 329.99 g/mol.
Where can I buy Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate?
You can request a quote for Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-bromo-4-nitroanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.