![4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid structure](/static/products/297/2971-18-8.png)
4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid
TL;DR: 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid (CAS 2971-18-8) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid
Also Known As: 4-(2-oxo-1,3-dihydroindol-3-yl)butanoic Acid, 4-(2-oxo-2,3-dihydro-1H-indol-3-yl)butanoic acid, 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.9772 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 428.02698 |
Chemical Identifiers
| CAS Number | 2971-18-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[C@@H](C(=O)N2)CCCC(=O)O |
Product Overview
4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid (CAS 2971-18-8), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid.
Chemical Property Profile of 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid
Property Insights of 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid
The XLogP value of 1.9772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid has 2 hydrogen bond donor(s) and 2 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 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid?
The CAS number of 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid is 2971-18-8.
What is the molecular formula of 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid?
The molecular formula of 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid is C12H13NO3.
What is the molecular weight of 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid?
The molecular weight of 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid is 219.09 g/mol.
Where can I buy 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid?
You can request a quote for 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.