IFLab1_005500
TL;DR: IFLab1_005500 (CAS 618403-96-6) is a chemical compound with molecular formula C20H24N2OS and molecular weight 340.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
Also Known As: IFLab1_005500, IFLab2_000243, IDI1_010903, IDI1_019269, AE-848/34329044
| Molecular Formula | C20H24N2OS |
|---|---|
| Molecular Weight | 340.16 g/mol |
| LogP | 4.1436 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.16095 |
| Heavy Atoms | 24 |
| Complexity | 764.9945 |
Chemical Identifiers
| CAS Number | 618403-96-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(S1)CCCC2)CN3CCC4=CC=CC=C4C3 |
Product Overview
IFLab1_005500 (CAS 618403-96-6), with molecular formula C20H24N2OS and molecular weight 340.16 g/mol. IUPAC: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide.
Chemical Property Profile of IFLab1_005500
Property Insights of IFLab1_005500
The XLogP value of 4.1436 indicates that IFLab1_005500 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, IFLab1_005500 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005500 has 1 hydrogen bond donor(s) and 3 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_005500?
The CAS number of IFLab1_005500 is 618403-96-6.
What is the molecular formula of IFLab1_005500?
The molecular formula of IFLab1_005500 is C20H24N2OS.
What is the molecular weight of IFLab1_005500?
The molecular weight of IFLab1_005500 is 340.16 g/mol.
Where can I buy IFLab1_005500?
You can request a quote for IFLab1_005500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005500?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.