![Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate structure](/static/products/498/498537-77-2.png)
Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate
TL;DR: Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate (CAS 498537-77-2) is a chemical compound with molecular formula C23H24FN3O3 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate
Also Known As: Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate, ethyl 3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)propanamido)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C23H24FN3O3 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 3.8706 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.18018 |
| Heavy Atoms | 30 |
| Complexity | 1092.4869 |
Chemical Identifiers
| CAS Number | 498537-77-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CCN3CCC4=CC=CC=C4C3 |
Product Overview
Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate (CAS 498537-77-2), with molecular formula C23H24FN3O3 and molecular weight 409.18 g/mol. IUPAC: ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate
Property Insights of Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 3.8706 indicates that Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-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 Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate?
The CAS number of Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate is 498537-77-2.
What is the molecular formula of Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate is C23H24FN3O3.
What is the molecular weight of Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate is 409.18 g/mol.
Where can I buy Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-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 Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.