ChemDiv3_004857
TL;DR: ChemDiv3_004857 (CAS 684235-39-0) is a chemical compound with molecular formula C28H28N4O4 and molecular weight 484.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(4-methylphenoxy)acetamide
Also Known As: ChemDiv3_004857, IDI1_022767, BRD-K46640957-001-01-5, N-[5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-2-(morpholin-4-yl)phenyl]-2-(4-methylphenoxy)acetamide, N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(4-methylphenoxy)acetamide
| Molecular Formula | C28H28N4O4 |
|---|---|
| Molecular Weight | 484.21 g/mol |
| LogP | 3.76302 |
| Topological Polar Surface Area | 85.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.21106 |
| Heavy Atoms | 36 |
| Complexity | 1457.1417 |
Chemical Identifiers
| CAS Number | 684235-39-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)C)N5CCOCC5 |
Product Overview
ChemDiv3_004857 (CAS 684235-39-0), with molecular formula C28H28N4O4 and molecular weight 484.21 g/mol. IUPAC: N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(4-methylphenoxy)acetamide.
Chemical Property Profile of ChemDiv3_004857
Property Insights of ChemDiv3_004857
The XLogP value of 3.76302 indicates that ChemDiv3_004857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004857. Following Lipinski's Rule of Five, ChemDiv3_004857 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_004857?
The CAS number of ChemDiv3_004857 is 684235-39-0.
What is the molecular formula of ChemDiv3_004857?
The molecular formula of ChemDiv3_004857 is C28H28N4O4.
What is the molecular weight of ChemDiv3_004857?
The molecular weight of ChemDiv3_004857 is 484.21 g/mol.
Where can I buy ChemDiv3_004857?
You can request a quote for ChemDiv3_004857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004857?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.