AI-204/41418144
TL;DR: AI-204/41418144 (CAS 496777-63-0) is a chemical compound with molecular formula C23H28FN3O3S and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AI-204/41418144, F1227-0015, ethyl 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{2-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]ACETAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-({[4-(4-fluorophenyl)-1-piperazinyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H28FN3O3S |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 3.7034 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.18353 |
| Heavy Atoms | 31 |
| Complexity | 936.2885 |
Chemical Identifiers
| CAS Number | 496777-63-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
AI-204/41418144 (CAS 496777-63-0), with molecular formula C23H28FN3O3S and molecular weight 445.18 g/mol. IUPAC: ethyl 2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AI-204/41418144
Property Insights of AI-204/41418144
The XLogP value of 3.7034 indicates that AI-204/41418144 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-204/41418144. Following Lipinski's Rule of Five, AI-204/41418144 has 1 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 AI-204/41418144?
The CAS number of AI-204/41418144 is 496777-63-0.
What is the molecular formula of AI-204/41418144?
The molecular formula of AI-204/41418144 is C23H28FN3O3S.
What is the molecular weight of AI-204/41418144?
The molecular weight of AI-204/41418144 is 445.18 g/mol.
Where can I buy AI-204/41418144?
You can request a quote for AI-204/41418144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-204/41418144?
Yes, KEHONG BIO provides custom synthesis services for AI-204/41418144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.