ChemDiv1_017804
TL;DR: ChemDiv1_017804 (CAS 5942-89-2) is a chemical compound with molecular formula C17H14Cl2N2O2 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
Also Known As: ChemDiv1_017804, BAS 00997413, BIM-0038070.P001, (2-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone, A1979/0083261
| Molecular Formula | C17H14Cl2N2O2 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 4.0605 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.04324 |
| Heavy Atoms | 23 |
| Complexity | 789.4353 |
Chemical Identifiers
| CAS Number | 5942-89-2 |
|---|---|
| SMILES | CC1=NN(C(C1)(C2=CC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_017804 (CAS 5942-89-2), with molecular formula C17H14Cl2N2O2 and molecular weight 348.04 g/mol. IUPAC: (2-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of ChemDiv1_017804
Property Insights of ChemDiv1_017804
The XLogP value of 4.0605 indicates that ChemDiv1_017804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, ChemDiv1_017804 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_017804 has 1 hydrogen bond donor(s) and 3 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_017804?
The CAS number of ChemDiv1_017804 is 5942-89-2.
What is the molecular formula of ChemDiv1_017804?
The molecular formula of ChemDiv1_017804 is C17H14Cl2N2O2.
What is the molecular weight of ChemDiv1_017804?
The molecular weight of ChemDiv1_017804 is 348.04 g/mol.
Where can I buy ChemDiv1_017804?
You can request a quote for ChemDiv1_017804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017804?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.