IDI1_020568
TL;DR: IDI1_020568 (CAS 312939-41-6) is a chemical compound with molecular formula C25H21NO3S and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-4-methyl-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]benzamide
Also Known As: IDI1_020568, AE-848/36439034, BRD-K48451483-001-01-8, (Z)-N-(4-ethoxyphenyl)-4-methyl-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)benzamide, N-(4-ethoxyphenyl)-4-methyl-N-[(3-oxo-1-benzothien-2(3H)-ylidene)methyl]benzamide
| Molecular Formula | C25H21NO3S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 5.87052 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1242 |
| Heavy Atoms | 30 |
| Complexity | 1117.8905 |
Chemical Identifiers
| CAS Number | 312939-41-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N(/C=C\2/C(=O)C3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)C |
Product Overview
IDI1_020568 (CAS 312939-41-6), with molecular formula C25H21NO3S and molecular weight 415.12 g/mol. IUPAC: N-(4-ethoxyphenyl)-4-methyl-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]benzamide.
Chemical Property Profile of IDI1_020568
Property Insights of IDI1_020568
The XLogP value of 5.87052 indicates that IDI1_020568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, IDI1_020568 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_020568 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IDI1_020568?
The CAS number of IDI1_020568 is 312939-41-6.
What is the molecular formula of IDI1_020568?
The molecular formula of IDI1_020568 is C25H21NO3S.
What is the molecular weight of IDI1_020568?
The molecular weight of IDI1_020568 is 415.12 g/mol.
Where can I buy IDI1_020568?
You can request a quote for IDI1_020568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020568?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.