Methyl 2-(acetylamino)-5-bromobenzoate
TL;DR: Methyl 2-(acetylamino)-5-bromobenzoate (CAS 138825-96-4) is a chemical compound with molecular formula C10H10BrNO3 and molecular weight 270.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-acetamido-5-bromobenzoate
Also Known As: Methyl 2-acetamido-5-bromobenzoate, methyl 5-bromo-2-acetamidobenzoate, 2-Ethyl-2-phenylbutyronitrile, Benzoic acid, 2-(acetylamino)-5-bromo-, methyl ester, methyl 2-(acetylamino)-5-bromobenzoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10BrNO3 |
| Molecular Weight | 270.9844 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.9844 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC |
| InChIKey | CPARHIBNDSEJGR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(acetylamino)-5-bromobenzoate
Property Insights of Methyl 2-(acetylamino)-5-bromobenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(acetylamino)-5-bromobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(acetylamino)-5-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(acetylamino)-5-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
What is the CAS number of Methyl 2-(acetylamino)-5-bromobenzoate?
The CAS number of Methyl 2-(acetylamino)-5-bromobenzoate is 138825-96-4.
What is the molecular formula of Methyl 2-(acetylamino)-5-bromobenzoate?
The molecular formula of Methyl 2-(acetylamino)-5-bromobenzoate is C10H10BrNO3.
What is the molecular weight of Methyl 2-(acetylamino)-5-bromobenzoate?
The molecular weight of Methyl 2-(acetylamino)-5-bromobenzoate is 270.9844 g/mol.
Where can I buy Methyl 2-(acetylamino)-5-bromobenzoate?
You can request a quote for Methyl 2-(acetylamino)-5-bromobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(acetylamino)-5-bromobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(acetylamino)-5-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.