Methyl 4-(acetylamino)-5-bromo-o-anisate
TL;DR: Methyl 4-(acetylamino)-5-bromo-o-anisate (CAS 4093-34-9) 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 4-acetamido-5-bromo-2-methoxybenzoate
Also Known As: methyl 4-acetamido-5-bromo-2-methoxybenzoate, Not Available, Bromopride Impurity B, Bromopride Impurity 1, Bromopride Impurity 3
| Molecular Formula | C11H12BrNO4 |
|---|---|
| Molecular Weight | 300.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.99496 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 4093-34-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Br |
| InChIKey | FCOKFEDHOPDIEH-UHFFFAOYSA-N |
Product Overview
Methyl 4-(acetylamino)-5-bromo-o-anisate (CAS 4093-34-9), with molecular formula C11H12BrNO4 and molecular weight 300.99 g/mol. IUPAC: methyl 4-acetamido-5-bromo-2-methoxybenzoate.
Chemical Property Profile of Methyl 4-(acetylamino)-5-bromo-o-anisate
Property Insights of Methyl 4-(acetylamino)-5-bromo-o-anisate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(acetylamino)-5-bromo-o-anisate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(acetylamino)-5-bromo-o-anisate. Following Lipinski's Rule of Five, Methyl 4-(acetylamino)-5-bromo-o-anisate has 1 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-(acetylamino)-5-bromo-o-anisate?
The CAS number of Methyl 4-(acetylamino)-5-bromo-o-anisate is 4093-34-9.
What is the molecular formula of Methyl 4-(acetylamino)-5-bromo-o-anisate?
The molecular formula of Methyl 4-(acetylamino)-5-bromo-o-anisate is C11H12BrNO4.
What is the molecular weight of Methyl 4-(acetylamino)-5-bromo-o-anisate?
The molecular weight of Methyl 4-(acetylamino)-5-bromo-o-anisate is 300.99 g/mol.
Where can I buy Methyl 4-(acetylamino)-5-bromo-o-anisate?
You can request a quote for Methyl 4-(acetylamino)-5-bromo-o-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(acetylamino)-5-bromo-o-anisate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(acetylamino)-5-bromo-o-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.