3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
TL;DR: 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid (CAS 126162-38-7) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydroindol-1-yl)propanoic acid
Also Known As: 3-(Indolin-1-yl)propanoic acid, 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid, 3- propanoicacid, 3-(2,3-dihydroindol-1-yl)propanoic acid, 3-indolinylpropanoic acid
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 126162-38-7 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)CCC(=O)O |
| InChIKey | QDQAXSGZAIUCQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid (CAS 126162-38-7), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 3-(2,3-dihydroindol-1-yl)propanoic acid.
Chemical Property Profile of 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
Property Insights of 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 3 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-(2,3-Dihydro-1H-indol-1-yl)propanoic acid?
The CAS number of 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid is 126162-38-7.
What is the molecular formula of 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid?
The molecular formula of 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid is C11H13NO2.
What is the molecular weight of 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid?
The molecular weight of 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid is 191.09 g/mol.
Where can I buy 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid?
You can request a quote for 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.