![2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid structure](/static/products/3279/327999-72-4.webp)
2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid
TL;DR: 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid (CAS 327999-72-4) is a chemical compound with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[(2,4-dimethoxyphenyl)methylamino]benzoic acid
Also Known As: BIM-0043569.P001, 5-bromo-2-[(2,4-dimethoxybenzyl)amino]benzoic acid, 5-bromo-2-[(2,4-dimethoxyphenyl)methylamino]benzoic acid, 5-BROMO-2-{[(2,4-DIMETHOXYPHENYL)METHYL]AMINO}BENZOIC ACID, 2-{[(2,4-dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid
| Molecular Formula | C16H16BrNO4 |
|---|---|
| Molecular Weight | 365.03 g/mol |
| LogP | 3.7766 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.02628 |
| Heavy Atoms | 22 |
| Complexity | 687.8412 |
Chemical Identifiers
| CAS Number | 327999-72-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CNC2=C(C=C(C=C2)Br)C(=O)O)OC |
Product Overview
2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid (CAS 327999-72-4), with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol. IUPAC: 5-bromo-2-[(2,4-dimethoxyphenyl)methylamino]benzoic acid.
Chemical Property Profile of 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid
Property Insights of 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid
The XLogP value of 3.7766 indicates that 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid. Following Lipinski's Rule of Five, 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic 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 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid?
The CAS number of 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid is 327999-72-4.
What is the molecular formula of 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid?
The molecular formula of 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid is C16H16BrNO4.
What is the molecular weight of 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid?
The molecular weight of 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid is 365.03 g/mol.
Where can I buy 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid?
You can request a quote for 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-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-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2,4-Dimethoxyphenyl)methyl]amino}-5-bromobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.