Methyl 3-amino-4-bromo-5-methylbenzoate
TL;DR: Methyl 3-amino-4-bromo-5-methylbenzoate (CAS 500730-87-0) is a chemical compound with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-bromo-5-methylbenzoate
Also Known As: methyl 3-amino-4-bromo-5-methylbenzoate, methyl3-amino-4-bromo-5-methylbenzoate
| Molecular Formula | C9H10BrNO2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.98949 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 500730-87-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Br)N)C(=O)OC |
| InChIKey | OJEFZLWIXRIJNW-UHFFFAOYSA-N |
Product Overview
Methyl 3-amino-4-bromo-5-methylbenzoate (CAS 500730-87-0), with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol. IUPAC: methyl 3-amino-4-bromo-5-methylbenzoate.
Chemical Property Profile of Methyl 3-amino-4-bromo-5-methylbenzoate
Property Insights of Methyl 3-amino-4-bromo-5-methylbenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-bromo-5-methylbenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-amino-4-bromo-5-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4-bromo-5-methylbenzoate 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 3-amino-4-bromo-5-methylbenzoate?
The CAS number of Methyl 3-amino-4-bromo-5-methylbenzoate is 500730-87-0.
What is the molecular formula of Methyl 3-amino-4-bromo-5-methylbenzoate?
The molecular formula of Methyl 3-amino-4-bromo-5-methylbenzoate is C9H10BrNO2.
What is the molecular weight of Methyl 3-amino-4-bromo-5-methylbenzoate?
The molecular weight of Methyl 3-amino-4-bromo-5-methylbenzoate is 242.99 g/mol.
Where can I buy Methyl 3-amino-4-bromo-5-methylbenzoate?
You can request a quote for Methyl 3-amino-4-bromo-5-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-4-bromo-5-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-bromo-5-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.