2-Acetamido-5-bromobenzoic Acid
TL;DR: 2-Acetamido-5-bromobenzoic Acid (CAS 38985-79-4) is a chemical compound with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-5-bromobenzoic acid
Also Known As: 2-Acetamido-5-bromobenzoic acid, 5-bromo-2-acetamidobenzoic acid, 2-(acetylamino)-5-bromobenzoic acid, 2-Acetamino-5-bromobenzoic acid, N-Acetyl-5-bromoanthranilic acid
| Molecular Formula | C9H8BrNO3 |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.96875 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 38985-79-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)Br)C(=O)O |
| InChIKey | QVABAFHRLMDDLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetamido-5-bromobenzoic Acid (CAS 38985-79-4), with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol. IUPAC: 2-acetamido-5-bromobenzoic acid.
Chemical Property Profile of 2-Acetamido-5-bromobenzoic Acid
Property Insights of 2-Acetamido-5-bromobenzoic Acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-5-bromobenzoic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-5-bromobenzoic Acid. Following Lipinski's Rule of Five, 2-Acetamido-5-bromobenzoic Acid has 2 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 2-Acetamido-5-bromobenzoic Acid?
The CAS number of 2-Acetamido-5-bromobenzoic Acid is 38985-79-4.
What is the molecular formula of 2-Acetamido-5-bromobenzoic Acid?
The molecular formula of 2-Acetamido-5-bromobenzoic Acid is C9H8BrNO3.
What is the molecular weight of 2-Acetamido-5-bromobenzoic Acid?
The molecular weight of 2-Acetamido-5-bromobenzoic Acid is 256.97 g/mol.
Where can I buy 2-Acetamido-5-bromobenzoic Acid?
You can request a quote for 2-Acetamido-5-bromobenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-5-bromobenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-5-bromobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.