![Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate structure](/static/products/717/717141-91-8.png)
Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate
TL;DR: Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate (CAS 717141-91-8) is a chemical compound with molecular formula C27H24ClFN2O4 and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-5-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-2-methylindole-3-carboxylate
Also Known As: Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate, ethyl 1-benzyl-5-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-2-methylindole-3-carboxylate, ethyl 1-benzyl-5-(2-((3-chloro-4-fluorophenyl)amino)-2-oxoethoxy)-2-methyl-1H-indole-3-carboxylate, ethyl 1-benzyl-5-{2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethoxy}-2-methyl-1H-indole-3-carboxylate
| Molecular Formula | C27H24ClFN2O4 |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 5.98472 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.14087 |
| Heavy Atoms | 35 |
| Complexity | 1385.2128 |
Chemical Identifiers
| CAS Number | 717141-91-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)NC3=CC(=C(C=C3)F)Cl)CC4=CC=CC=C4)C |
Product Overview
Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate (CAS 717141-91-8), with molecular formula C27H24ClFN2O4 and molecular weight 494.14 g/mol. IUPAC: ethyl 1-benzyl-5-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-2-methylindole-3-carboxylate.
Chemical Property Profile of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate
Property Insights of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate
The XLogP value of 5.98472 indicates that Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate?
The CAS number of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate is 717141-91-8.
What is the molecular formula of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate?
The molecular formula of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate is C27H24ClFN2O4.
What is the molecular weight of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate?
The molecular weight of Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate is 494.14 g/mol.
Where can I buy Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate?
You can request a quote for Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-benzyl-5-[(3-chloro-4-fluoro-phenyl)carbamoylmethoxy]-2-methyl-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.