ChemDiv2_004312
TL;DR: ChemDiv2_004312 (CAS 840464-47-3) is a chemical compound with molecular formula C26H22N4O3S and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
Also Known As: ChemDiv2_004312, IDI1_003027, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]acetamide, 2-(benzo[d]oxazol-2-ylthio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
| Molecular Formula | C26H22N4O3S |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.14127 |
| Heavy Atoms | 34 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 840464-47-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC5=CC=CC=C5O4 |
| InChIKey | KMQPCTDDWBEODE-UHFFFAOYSA-N |
Product Overview
ChemDiv2_004312 (CAS 840464-47-3), with molecular formula C26H22N4O3S and molecular weight 470.14 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide.
Chemical Property Profile of ChemDiv2_004312
Property Insights of ChemDiv2_004312
The XLogP value of 4.8 indicates that ChemDiv2_004312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004312. Following Lipinski's Rule of Five, ChemDiv2_004312 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 ChemDiv2_004312?
The CAS number of ChemDiv2_004312 is 840464-47-3.
What is the molecular formula of ChemDiv2_004312?
The molecular formula of ChemDiv2_004312 is C26H22N4O3S.
What is the molecular weight of ChemDiv2_004312?
The molecular weight of ChemDiv2_004312 is 470.14 g/mol.
Where can I buy ChemDiv2_004312?
You can request a quote for ChemDiv2_004312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004312?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.