IKK Inhibitor
TL;DR: IKK Inhibitor (CAS 727741-84-6) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]-2-(carbamoylamino)thiophene-3-carboxamide
Also Known As: IKK Inhibitor, IKKbeta inhibitor, 3-ThiophenecarboxaMide, 2-[(aMinocarbonyl)aMino]-5-[2-[2-[Methyl(phenylMethyl)aMino]ethoxy]phenyl]-, 2-[(aminocarbonyl)amino]-5-[2-[2-[methyl(phenylmethyl)amino]ethoxy]phenyl]-3-Thiophenecarboxamide, 3-Thiophenecarboxamide,2-[(aminocarbonyl)amino]-5-[2-[2-[methyl(phenylmethyl)amino]ethoxy]phenyl]-
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 3.5154 |
| Topological Polar Surface Area | 110.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1020.23193 |
Chemical Identifiers
| CAS Number | 727741-84-6 |
|---|---|
| SMILES | CN(CCOC1=CC=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)CC3=CC=CC=C3 |
Product Overview
IKK Inhibitor (CAS 727741-84-6), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: 5-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]-2-(carbamoylamino)thiophene-3-carboxamide.
Chemical Property Profile of IKK Inhibitor
Property Insights of IKK Inhibitor
The XLogP value of 3.5154 indicates that IKK Inhibitor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.68 Ų falls within the moderate polarity range, balancing permeability and solubility for IKK Inhibitor. Following Lipinski's Rule of Five, IKK Inhibitor has 3 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 IKK Inhibitor?
The CAS number of IKK Inhibitor is 727741-84-6.
What is the molecular formula of IKK Inhibitor?
The molecular formula of IKK Inhibitor is C22H24N4O3S.
What is the molecular weight of IKK Inhibitor?
The molecular weight of IKK Inhibitor is 424.16 g/mol.
Where can I buy IKK Inhibitor?
You can request a quote for IKK Inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IKK Inhibitor?
Yes, KEHONG BIO provides custom synthesis services for IKK Inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.