PKM2-IN-9
TL;DR: PKM2-IN-9 (CAS 498568-75-5) is a chemical compound with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
Also Known As: PKM2-IN-9, N-[(1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-benzimidazol-2-yl)methyl]benzamide, N-[[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide, N-((1-(2-oxo-2-(m-tolylamino)ethyl)-1H-benzo[d]imidazol-2-yl)methyl)benzamide, N-[(1-{[(3-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)methyl]benzamide
| Molecular Formula | C24H22N4O2 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 3.91342 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1743 |
| Heavy Atoms | 30 |
| Complexity | 1198.2979 |
Chemical Identifiers
| CAS Number | 498568-75-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2CNC(=O)C4=CC=CC=C4 |
Product Overview
PKM2-IN-9 (CAS 498568-75-5), with molecular formula C24H22N4O2 and molecular weight 398.17 g/mol. IUPAC: N-[[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
Chemical Property Profile of PKM2-IN-9
Property Insights of PKM2-IN-9
The XLogP value of 3.91342 indicates that PKM2-IN-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for PKM2-IN-9. Following Lipinski's Rule of Five, PKM2-IN-9 has 2 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 PKM2-IN-9?
The CAS number of PKM2-IN-9 is 498568-75-5.
What is the molecular formula of PKM2-IN-9?
The molecular formula of PKM2-IN-9 is C24H22N4O2.
What is the molecular weight of PKM2-IN-9?
The molecular weight of PKM2-IN-9 is 398.17 g/mol.
Where can I buy PKM2-IN-9?
You can request a quote for PKM2-IN-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PKM2-IN-9?
Yes, KEHONG BIO provides custom synthesis services for PKM2-IN-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.