![3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid structure](/static/products/7008/700853-37-8.webp)
3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid
TL;DR: 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid (CAS 700853-37-8) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(propan-2-ylsulfamoyl)phenyl]propanoic acid
Also Known As: 3-[4-(propan-2-ylsulfamoyl)phenyl]propanoic acid, 3-{4-[(isopropylamino)sulfonyl]phenyl}propanoic acid, 3-(4-(N-isopropylsulfamoyl)phenyl)propanoic acid
Technical Specifications
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.08783 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 Da |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
| SMILES | CC(C)NS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O |
| InChIKey | NGKKAYHEUPAAOG-UHFFFAOYSA-N |
Chemical Property Profile of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid
Property Insights of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid. Following Lipinski's Rule of Five, 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid?
The CAS number of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid is 700853-37-8.
What is the molecular formula of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid?
The molecular formula of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid is C12H17NO4S.
What is the molecular weight of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid?
The molecular weight of 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid is 271.08783 g/mol.
Where can I buy 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid?
You can request a quote for 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[4-(Propan-2-ylsulfamoyl)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.