ChemDiv1_008142
TL;DR: ChemDiv1_008142 (CAS 78768-39-5) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
Also Known As: ChemDiv1_008142, DivK1c_002782, CDS1_001742, BAS 00733824, BIM-0029235.P001
| Molecular Formula | C22H20N4O4 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 2.10922 |
| Topological Polar Surface Area | 93.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.14847 |
| Heavy Atoms | 30 |
| Complexity | 1188.6797 |
Chemical Identifiers
| CAS Number | 78768-39-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
ChemDiv1_008142 (CAS 78768-39-5), with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
Chemical Property Profile of ChemDiv1_008142
Property Insights of ChemDiv1_008142
The XLogP value of 2.10922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008142. The TPSA of 93.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008142. Following Lipinski's Rule of Five, ChemDiv1_008142 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_008142?
The CAS number of ChemDiv1_008142 is 78768-39-5.
What is the molecular formula of ChemDiv1_008142?
The molecular formula of ChemDiv1_008142 is C22H20N4O4.
What is the molecular weight of ChemDiv1_008142?
The molecular weight of ChemDiv1_008142 is 404.15 g/mol.
Where can I buy ChemDiv1_008142?
You can request a quote for ChemDiv1_008142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008142?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.