3R-0728
TL;DR: 3R-0728 (CAS 439097-55-9) is a chemical compound with molecular formula C22H23F3N2O2 and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide
Also Known As: 3R-0728, 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide, 4-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[3-(trifluoromethyl)benzyl]pentanamide, 4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}pentanamide, 1,3-Dihydro-I+/--(2-methylpropyl)-1-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-isoindole-2-acetamide
| Molecular Formula | C22H23F3N2O2 |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 4.3923 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.17117 |
| Heavy Atoms | 29 |
| Complexity | 908.92554 |
Chemical Identifiers
| CAS Number | 439097-55-9 |
|---|---|
| SMILES | CC(C)CC(C(=O)NCC1=CC(=CC=C1)C(F)(F)F)N2CC3=CC=CC=C3C2=O |
Product Overview
3R-0728 (CAS 439097-55-9), with molecular formula C22H23F3N2O2 and molecular weight 404.17 g/mol. IUPAC: 4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide.
Chemical Property Profile of 3R-0728
Property Insights of 3R-0728
The XLogP value of 4.3923 indicates that 3R-0728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 3R-0728 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3R-0728 has 1 hydrogen bond donor(s) and 2 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 3R-0728?
The CAS number of 3R-0728 is 439097-55-9.
What is the molecular formula of 3R-0728?
The molecular formula of 3R-0728 is C22H23F3N2O2.
What is the molecular weight of 3R-0728?
The molecular weight of 3R-0728 is 404.17 g/mol.
Where can I buy 3R-0728?
You can request a quote for 3R-0728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-0728?
Yes, KEHONG BIO provides custom synthesis services for 3R-0728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.