AS-871/42853911
TL;DR: AS-871/42853911 (CAS 690639-96-4) is a chemical compound with molecular formula C26H30FN3O2S and molecular weight 467.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-ethyl-3-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophen-2-yl]benzamide
Also Known As: AS-871/42853911, F1654-0055, N-[5-ethyl-3-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophen-2-yl]benzamide, N-(5-ethyl-3-((4-fluorophenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methyl)thiophen-2-yl)benzamide, N-{5-ETHYL-3-[(4-FLUOROPHENYL)[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHYL]THIOPHEN-2-YL}BENZAMIDE
| Molecular Formula | C26H30FN3O2S |
|---|---|
| Molecular Weight | 467.20 g/mol |
| LogP | 4.4012 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.20428 |
| Heavy Atoms | 33 |
| Complexity | 1047.1588 |
Chemical Identifiers
| CAS Number | 690639-96-4 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)N4CCN(CC4)CCO |
Product Overview
AS-871/42853911 (CAS 690639-96-4), with molecular formula C26H30FN3O2S and molecular weight 467.20 g/mol. IUPAC: N-[5-ethyl-3-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophen-2-yl]benzamide.
Chemical Property Profile of AS-871/42853911
Property Insights of AS-871/42853911
The XLogP value of 4.4012 indicates that AS-871/42853911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.81 Ų, AS-871/42853911 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42853911 has 2 hydrogen bond donor(s) and 5 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 AS-871/42853911?
The CAS number of AS-871/42853911 is 690639-96-4.
What is the molecular formula of AS-871/42853911?
The molecular formula of AS-871/42853911 is C26H30FN3O2S.
What is the molecular weight of AS-871/42853911?
The molecular weight of AS-871/42853911 is 467.20 g/mol.
Where can I buy AS-871/42853911?
You can request a quote for AS-871/42853911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42853911?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42853911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.