5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid
TL;DR: 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid (CAS 90642-23-2) is a chemical compound with molecular formula C9H7BrINO4 and molecular weight 398.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid
Also Known As: NCIOpen2_007872, 5-bromo-2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid, 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid, 5-bromo-2-hydroxy-4-[(iodoacetyl)amino]benzoic acid, 2-[[3,4-bis(oxidanyl)phenyl]methylidene]-5-methyl-furan-3-one
| Molecular Formula | C9H7BrINO4 |
|---|---|
| Molecular Weight | 398.86 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.86032 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 90642-23-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Br)NC(=O)CI)O)C(=O)O |
| InChIKey | YTLZGGANKYZQSX-UHFFFAOYSA-N |
Product Overview
5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid (CAS 90642-23-2), with molecular formula C9H7BrINO4 and molecular weight 398.86 g/mol. IUPAC: 5-bromo-2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid
Property Insights of 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid has 3 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-hydroxy-4-(2-iodoacetamido)benzoic acid?
The CAS number of 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid is 90642-23-2.
What is the molecular formula of 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid?
The molecular formula of 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid is C9H7BrINO4.
What is the molecular weight of 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid?
The molecular weight of 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid is 398.86 g/mol.
Where can I buy 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid?
You can request a quote for 5-Bromo-2-hydroxy-4-(2-iodoacetamido)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-hydroxy-4-(2-iodoacetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-hydroxy-4-(2-iodoacetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.