Methyl 4-amino-2-bromobenzoate
TL;DR: Methyl 4-amino-2-bromobenzoate (CAS 98545-64-3) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-2-bromobenzoate
Also Known As: methyl 4-amino-2-bromobenzoate, Benzoic acid, 4-amino-2-bromo-, methyl ester, Methyl4-amino-2-bromobenzoate, methyl-2-bromo-4-aminobenzoate, methyl 4-amino-2-bromo-benzoate
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 1.8179 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 98545-64-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N)Br |
Product Overview
Methyl 4-amino-2-bromobenzoate (CAS 98545-64-3), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: methyl 4-amino-2-bromobenzoate.
Chemical Property Profile of Methyl 4-amino-2-bromobenzoate
Property Insights of Methyl 4-amino-2-bromobenzoate
The XLogP value of 1.8179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2-bromobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 4-amino-2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-2-bromobenzoate 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 4-amino-2-bromobenzoate?
The CAS number of Methyl 4-amino-2-bromobenzoate is 98545-64-3.
What is the molecular formula of Methyl 4-amino-2-bromobenzoate?
The molecular formula of Methyl 4-amino-2-bromobenzoate is C8H8BrNO2.
What is the molecular weight of Methyl 4-amino-2-bromobenzoate?
The molecular weight of Methyl 4-amino-2-bromobenzoate is 228.97 g/mol.
Where can I buy Methyl 4-amino-2-bromobenzoate?
You can request a quote for Methyl 4-amino-2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.