Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate
TL;DR: Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate (CAS 849035-86-5) is a chemical compound with molecular formula C12H12FNO4S and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-fluoro-7-methylsulfonyl-1H-indole-2-carboxylate
Also Known As: Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate, 0590AF, ethyl 5-fluoro-7-methylsulfonyl-1H-indole-2-carboxylate, Ethyl 5-fluoro-7-(methylsulphonyl)-1H-indole-2-carboxylate, Ethyl5-fluoro-7- -1H-indole-2-carboxylate
| Molecular Formula | C12H12FNO4S |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 1.8872 |
| Topological Polar Surface Area | 76.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.04712 |
| Heavy Atoms | 19 |
| Complexity | 748.4203 |
Chemical Identifiers
| CAS Number | 849035-86-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC(=CC(=C2N1)S(=O)(=O)C)F |
Product Overview
Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate (CAS 849035-86-5), with molecular formula C12H12FNO4S and molecular weight 285.05 g/mol. IUPAC: ethyl 5-fluoro-7-methylsulfonyl-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate
Property Insights of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate
The XLogP value of 1.8872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-fluoro-7-(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
Frequently Asked Questions
What is the CAS number of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate?
The CAS number of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate is 849035-86-5.
What is the molecular formula of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate?
The molecular formula of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate is C12H12FNO4S.
What is the molecular weight of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate?
The molecular weight of Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate is 285.05 g/mol.
Where can I buy Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate?
You can request a quote for Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-fluoro-7-(methylsulfonyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.