Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate
TL;DR: Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate (CAS 452349-58-5) is a chemical compound with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-(2-methylpropanoylamino)benzoate
Also Known As: methyl 5-bromo-2-isobutyramidobenzoate, methyl 5-bromo-2-(2-methylpropanoylamino)benzoate, VU0509035-1, F3097-0915
| Molecular Formula | C12H14BrNO3 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.01572 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 452349-58-5 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C=C(C=C1)Br)C(=O)OC |
| InChIKey | HIHUWFHTDVSBEG-UHFFFAOYSA-N |
Product Overview
Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate (CAS 452349-58-5), with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol. IUPAC: methyl 5-bromo-2-(2-methylpropanoylamino)benzoate.
Chemical Property Profile of Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate
Property Insights of Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate
The XLogP value of 3.4 indicates that Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate has 1 hydrogen bond donor(s) and 3 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 5-bromo-2-(2-methylpropanoylamino)benzoate?
The CAS number of Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate is 452349-58-5.
What is the molecular formula of Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate?
The molecular formula of Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate is C12H14BrNO3.
What is the molecular weight of Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate?
The molecular weight of Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate is 299.02 g/mol.
Where can I buy Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate?
You can request a quote for Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-2-(2-methylpropanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.