![5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid structure](/static/products/369/369605-70-9.png)
5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
TL;DR: 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid (CAS 369605-70-9) is a chemical compound with molecular formula C12H12BrNO5 and molecular weight 328.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
Also Known As: 5-bromo-2-(3-methoxycarbonylpropanoylamino)benzoic Acid, 5-bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid, 5-BROMO-2-(4-METHOXY-4-OXOBUTANAMIDO)BENZOIC ACID
| Molecular Formula | C12H12BrNO5 |
|---|---|
| Molecular Weight | 328.99 g/mol |
| LogP | 2.039 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.9899 |
| Heavy Atoms | 19 |
| Complexity | 514.84125 |
Chemical Identifiers
| CAS Number | 369605-70-9 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=C(C=C(C=C1)Br)C(=O)O |
Product Overview
5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid (CAS 369605-70-9), with molecular formula C12H12BrNO5 and molecular weight 328.99 g/mol. IUPAC: 5-bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
Property Insights of 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
The XLogP value of 2.039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid?
The CAS number of 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid is 369605-70-9.
What is the molecular formula of 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid?
The molecular formula of 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid is C12H12BrNO5.
What is the molecular weight of 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid?
The molecular weight of 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid is 328.99 g/mol.
Where can I buy 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid?
You can request a quote for 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.