3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid
TL;DR: 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid (CAS 667409-50-9) is a chemical compound with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid
Also Known As: 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid, 3-methyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid, 3-methyl-4-[N-(4-sulfamoylphenyl)carbamoyl]butanoic acid, 3-methyl-5-oxo-5-((4-sulfamoylphenyl)amino)pentanoic acid, 3-methyl-5-oxo-5-[(4-sulfamoylphenyl)amino]pentanoic acid
| Molecular Formula | C12H16N2O5S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 0.7734 |
| Topological Polar Surface Area | 126.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.078 |
| Heavy Atoms | 20 |
| Complexity | 594.7786 |
Chemical Identifiers
| CAS Number | 667409-50-9 |
|---|---|
| SMILES | CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)CC(=O)O |
Product Overview
3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid (CAS 667409-50-9), with molecular formula C12H16N2O5S and molecular weight 300.08 g/mol. IUPAC: 3-methyl-5-oxo-5-(4-sulfamoylanilino)pentanoic acid.
Chemical Property Profile of 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid
Property Insights of 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid
The XLogP value of 0.7734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid. The TPSA of 126.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric 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 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid?
The CAS number of 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid is 667409-50-9.
What is the molecular formula of 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid?
The molecular formula of 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid is C12H16N2O5S.
What is the molecular weight of 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid?
The molecular weight of 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid is 300.08 g/mol.
Where can I buy 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid?
You can request a quote for 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(4-sulfamoyl-phenylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.