4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
TL;DR: 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid (CAS 149286-98-6) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-sulfanylidene-1,3-dihydroindol-3-yl)butanoic acid
Also Known As: 2-thioxo-1H-indole-3-alkanoic acid deriv. 13, 1H-Indole-3-butanoic acid, 2,3-dihydro-2-thioxo-, 2-Thioxo-2,3-dihydro-1H-indole-3-butyric acid, 2,3-Dihydro-2-thioxo-1H-indole-3-butanoic Acid, 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.778 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 430.78186 |
Chemical Identifiers
| CAS Number | 149286-98-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(=S)N2)CCCC(=O)O |
Product Overview
4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid (CAS 149286-98-6), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 4-(2-sulfanylidene-1,3-dihydroindol-3-yl)butanoic acid.
Chemical Property Profile of 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
Property Insights of 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
The XLogP value of 2.778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-sulfanylidene-2,3-dihydro-1H-indol-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-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid?
The CAS number of 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid is 149286-98-6.
What is the molecular formula of 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid?
The molecular formula of 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid is C12H13NO2S.
What is the molecular weight of 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid?
The molecular weight of 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid is 235.07 g/mol.
Where can I buy 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid?
You can request a quote for 4-(2-sulfanylidene-2,3-dihydro-1H-indol-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-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.