ChemDiv1_026000
TL;DR: ChemDiv1_026000 (CAS 82805-66-1) is a chemical compound with molecular formula C20H15ClN4O and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile
Also Known As: ChemDiv1_026000, A2079/0087403, [(2-chlorophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile, 2-[(2-chlorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile, 2-((2-chlorophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl)malononitrile
| Molecular Formula | C20H15ClN4O |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.12586 |
| Topological Polar Surface Area | 80.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.09344 |
| Heavy Atoms | 26 |
| Complexity | 928.2738 |
Chemical Identifiers
| CAS Number | 82805-66-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2=CC=CC=C2Cl)C(C#N)C#N)C3=CC=CC=C3 |
Product Overview
ChemDiv1_026000 (CAS 82805-66-1), with molecular formula C20H15ClN4O and molecular weight 362.09 g/mol. IUPAC: 2-[(2-chlorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of ChemDiv1_026000
Property Insights of ChemDiv1_026000
The XLogP value of 4.12586 indicates that ChemDiv1_026000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026000. Following Lipinski's Rule of Five, ChemDiv1_026000 has 0 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_026000?
The CAS number of ChemDiv1_026000 is 82805-66-1.
What is the molecular formula of ChemDiv1_026000?
The molecular formula of ChemDiv1_026000 is C20H15ClN4O.
What is the molecular weight of ChemDiv1_026000?
The molecular weight of ChemDiv1_026000 is 362.09 g/mol.
Where can I buy ChemDiv1_026000?
You can request a quote for ChemDiv1_026000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026000?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.