1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester
TL;DR: 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester (CAS 69261-17-2) 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.
methyl 2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetate
Also Known As: 2-thioxo-1H-indole-3-alkanoic acid deriv. 7, 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester, Methyl 2,3-Dihydro-2-thioxo-1H-indole-3-acetate, methyl 2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetate, methyl 2-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetate
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.0862 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 416.80386 |
Chemical Identifiers
| CAS Number | 69261-17-2 |
|---|---|
| SMILES | COC(=O)CC1C2=CC=CC=C2NC1=S |
Product Overview
1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester (CAS 69261-17-2), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: methyl 2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetate.
Chemical Property Profile of 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester
Property Insights of 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester
The XLogP value of 2.0862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester 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 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester?
The CAS number of 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester is 69261-17-2.
What is the molecular formula of 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester?
The molecular formula of 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester is C11H11NO2S.
What is the molecular weight of 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester?
The molecular weight of 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester is 221.05 g/mol.
Where can I buy 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester?
You can request a quote for 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.