ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate
TL;DR: ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate (CAS 849035-83-2) 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 7-fluoro-5-methylsulfonyl-1H-indole-2-carboxylate
Also Known As: ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate, ethyl 7-fluoro-5-methylsulfonyl-1H-indole-2-carboxylate, ethyl 7-fluoro-5-methanesulfonyl-1H-indole-2-carboxylate, Ethyl 7-fluoro-5-(methylsulphonyl)-1H-indole-2-carboxylate, ETHYL7-FLUORO-5- -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 | 849035-83-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC(=CC(=C2N1)F)S(=O)(=O)C |
Product Overview
ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate (CAS 849035-83-2), with molecular formula C12H12FNO4S and molecular weight 285.05 g/mol. IUPAC: ethyl 7-fluoro-5-methylsulfonyl-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate
Property Insights of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate
The XLogP value of 1.8872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 7-fluoro-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
Frequently Asked Questions
What is the CAS number of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate?
The CAS number of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate is 849035-83-2.
What is the molecular formula of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate?
The molecular formula of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate is C12H12FNO4S.
What is the molecular weight of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate?
The molecular weight of ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate is 285.05 g/mol.
Where can I buy ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate?
You can request a quote for ethyl 7-fluoro-5-(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 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.