3-(1-Benzyl-1H-indol-3-yl)propanoic acid
TL;DR: 3-(1-Benzyl-1H-indol-3-yl)propanoic acid (CAS 141071-79-6) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-benzylindol-3-yl)propanoic acid
Also Known As: 3-(1-Benzyl-1H-indol-3-yl)propanoic acid, 3-(1-benzylindol-3-yl)propanoic Acid, 1H-Indole-3-propanoic acid, 1-(phenylmethyl)-, 3-(1-Benzyl-1H-indol-3-yl)-propionic acid, 3-(1-Benzylindol-3-yl)propionic Acid
Technical Specifications
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.12592 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.12592 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCC(=O)O |
| InChIKey | QTUJYJWSZIVMMF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid
Property Insights of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid
The XLogP value of 3.4 indicates that 3-(1-Benzyl-1H-indol-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 3-(1-Benzyl-1H-indol-3-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Benzyl-1H-indol-3-yl)propanoic acid has 1 hydrogen bond donor(s) and 2 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-(1-Benzyl-1H-indol-3-yl)propanoic acid?
The CAS number of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid is 141071-79-6.
What is the molecular formula of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid?
The molecular formula of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid is C18H17NO2.
What is the molecular weight of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid?
The molecular weight of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid is 279.12592 g/mol.
Where can I buy 3-(1-Benzyl-1H-indol-3-yl)propanoic acid?
You can request a quote for 3-(1-Benzyl-1H-indol-3-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Benzyl-1H-indol-3-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-Benzyl-1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.