![methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate structure](/static/products/896/896817-69-9.png)
methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate
TL;DR: methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate (CAS 896817-69-9) is a chemical compound with molecular formula C12H13FN2O4S and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(ethylsulfonylamino)-5-fluoro-1H-indole-2-carboxylate
Also Known As: methyl 3-(ethylsulfonamido)-5-fluoro-1H-indole-2-carboxylate, methyl 3-(ethylsulfonylamino)-5-fluoro-1H-indole-2-carboxylate, methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C12H13FN2O4S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 1.8552 |
| Topological Polar Surface Area | 88.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.058 |
| Heavy Atoms | 20 |
| Complexity | 767.10046 |
Chemical Identifiers
| CAS Number | 896817-69-9 |
|---|---|
| SMILES | CCS(=O)(=O)NC1=C(NC2=C1C=C(C=C2)F)C(=O)OC |
Product Overview
methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate (CAS 896817-69-9), with molecular formula C12H13FN2O4S and molecular weight 300.06 g/mol. IUPAC: methyl 3-(ethylsulfonylamino)-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate
Property Insights of methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 1.8552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate. The TPSA of 88.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate has 2 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 methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The CAS number of methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate is 896817-69-9.
What is the molecular formula of methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate is C12H13FN2O4S.
What is the molecular weight of methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate is 300.06 g/mol.
Where can I buy methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for methyl 3-[(ethylsulfonyl)amino]-5-fluoro-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 methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(ethylsulfonyl)amino]-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.