(2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate
TL;DR: (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate (CAS 40015-16-5) 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.
(2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate
Also Known As: (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate, 2-Methyl-3-(methylsulfanyl)-1H-indol-5-yl acetate
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 40015-16-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC(=O)C)SC |
| InChIKey | YQKPJKOHQJYLJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate (CAS 40015-16-5), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate.
Chemical Property Profile of (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate
Property Insights of (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate. Following Lipinski's Rule of Five, (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate 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 (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate?
The CAS number of (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate is 40015-16-5.
What is the molecular formula of (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate?
The molecular formula of (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate is C12H13NO2S.
What is the molecular weight of (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate?
The molecular weight of (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate is 235.07 g/mol.
Where can I buy (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate?
You can request a quote for (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.