3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
TL;DR: 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid (CAS 149286-94-2) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanoic acid
Also Known As: 2-thioxo-1H-indole-3-alkanoic acid deriv. 9, 1H-Indole-3-propanoic acid, 2,3-dihydro-2-thioxo-, 2,3-Dihydro-2-thioxo-1H-indole-3-propanoic Acid, 2-Thioxo-2,3-dihydro-1H-indole-3-propionic acid, 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.3879 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 416.80386 |
Chemical Identifiers
| CAS Number | 149286-94-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(=S)N2)CCC(=O)O |
Product Overview
3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid (CAS 149286-94-2), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 3-(2-sulfanylidene-1,3-dihydroindol-3-yl)propanoic acid.
Chemical Property Profile of 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
Property Insights of 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
The XLogP value of 2.3879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic 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 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The CAS number of 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid is 149286-94-2.
What is the molecular formula of 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The molecular formula of 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid is C11H11NO2S.
What is the molecular weight of 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The molecular weight of 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid is 221.05 g/mol.
Where can I buy 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid?
You can request a quote for 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-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-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.