(S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate
TL;DR: (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 448192-53-8) is a chemical compound with molecular formula C25H29FN4O4 and molecular weight 468.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-fluoro-3-[[2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
Also Known As: (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate, ethyl 5-fluoro-3-({[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate, ethyl 5-fluoro-3-[[2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
| Molecular Formula | C25H29FN4O4 |
|---|---|
| Molecular Weight | 468.22 g/mol |
| LogP | 3.6415 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.2173 |
| Heavy Atoms | 34 |
| Complexity | 1177.6224 |
Chemical Identifiers
| CAS Number | 448192-53-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCN(C(C3)C)C4=CC=C(C=C4)OC |
Product Overview
(S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 448192-53-8), with molecular formula C25H29FN4O4 and molecular weight 468.22 g/mol. IUPAC: ethyl 5-fluoro-3-[[2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate
Property Insights of (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate
The XLogP value of 3.6415 indicates that (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-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 (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The CAS number of (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 448192-53-8.
What is the molecular formula of (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular formula of (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate is C25H29FN4O4.
What is the molecular weight of (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular weight of (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 468.22 g/mol.
Where can I buy (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
You can request a quote for (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-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 (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 5-fluoro-3-(2-(4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)acetamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.