methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate
TL;DR: methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate (CAS 896804-06-1) is a chemical compound with molecular formula C18H17FN2O4S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate
Also Known As: methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate, methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate, methyl 3-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-5-methyl-1H-indole-2-carboxylate
| Molecular Formula | C18H17FN2O4S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0893 |
| Heavy Atoms | 26 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 896804-06-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2NS(=O)(=O)C3=CC(=C(C=C3)F)C)C(=O)OC |
| InChIKey | WXISLKUKKUYPNZ-UHFFFAOYSA-N |
Product Overview
methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate (CAS 896804-06-1), with molecular formula C18H17FN2O4S and molecular weight 376.09 g/mol. IUPAC: methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-5-methyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate
Property Insights of methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate
The XLogP value of 4.1 indicates that methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate is 896804-06-1.
What is the molecular formula of methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate is C18H17FN2O4S.
What is the molecular weight of methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate is 376.09 g/mol.
Where can I buy methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-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-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-fluoro-3-methylphenylsulfonamido)-5-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.