Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate
TL;DR: Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate (CAS 122030-04-0) is a chemical compound with molecular formula C11H11NO4S and molecular weight 253.04088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-methylsulfonyl-1H-indole-2-carboxylate
Also Known As: Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate, disodiumcyanamide, methyl 5-methylsulfonyl-1H-indole-2-carboxylate, 2,4,6-Trifluorobenzotrifluoride, methyl 5-(methylsulfonyl)indole-2-carboxylate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO4S |
| Molecular Weight | 253.04088 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.04088 Da |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
| SMILES | COC(=O)C1=CC2=C(N1)C=CC(=C2)S(=O)(=O)C |
| InChIKey | NVOKZHQKGPZQFP-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate
Property Insights of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate?
The CAS number of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate is 122030-04-0.
What is the molecular formula of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate?
The molecular formula of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate is C11H11NO4S.
What is the molecular weight of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate?
The molecular weight of Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate is 253.04088 g/mol.
Where can I buy Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate?
You can request a quote for Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.