IFLab1_004031
TL;DR: IFLab1_004031 (CAS 314260-41-8) is a chemical compound with molecular formula C18H25N3OS and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylpiperidin-1-yl)propanamide
Also Known As: IFLab1_004031, AF-399/15031007, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylpiperidin-1-yl)propanamide, F0863-0616, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(4-methylpiperidin-1-yl)propanamide
| Molecular Formula | C18H25N3OS |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 3.55908 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.17184 |
| Heavy Atoms | 23 |
| Complexity | 608.51825 |
Chemical Identifiers
| CAS Number | 314260-41-8 |
|---|---|
| SMILES | CC1CCN(CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N |
Product Overview
IFLab1_004031 (CAS 314260-41-8), with molecular formula C18H25N3OS and molecular weight 331.17 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methylpiperidin-1-yl)propanamide.
Chemical Property Profile of IFLab1_004031
Property Insights of IFLab1_004031
The XLogP value of 3.55908 indicates that IFLab1_004031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, IFLab1_004031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_004031 has 1 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 IFLab1_004031?
The CAS number of IFLab1_004031 is 314260-41-8.
What is the molecular formula of IFLab1_004031?
The molecular formula of IFLab1_004031 is C18H25N3OS.
What is the molecular weight of IFLab1_004031?
The molecular weight of IFLab1_004031 is 331.17 g/mol.
Where can I buy IFLab1_004031?
You can request a quote for IFLab1_004031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004031?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.