3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid
TL;DR: 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid (CAS 1396963-24-8) is a chemical compound with molecular formula C17H15N3O6S and molecular weight 389.06815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoic acid
Also Known As: 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid, BIM-0014884.P001, 3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanoic acid, 3-(1H-indol-3-yl)-2-{[(4-nitrophenyl)sulfonyl]amino}propanoic acid, 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoicacid
Technical Specifications
| Molecular Formula | C17H15N3O6S |
| Molecular Weight | 389.06815 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.06815 Da |
| Heavy Atoms | 27 |
| Complexity | 651.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | KJJXWLQWLLITGC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid
Property Insights of 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid. The TPSA of 153.0 Ų indicates high polarity, suggesting 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid has 3 hydrogen bond donor(s) and 7 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-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid?
The CAS number of 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid is 1396963-24-8.
What is the molecular formula of 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid?
The molecular formula of 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid is C17H15N3O6S.
What is the molecular weight of 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid?
The molecular weight of 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid is 389.06815 g/mol.
Where can I buy 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid?
You can request a quote for 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1H-indol-3-yl)-2-(4-nitrobenzenesulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.