ChemDiv1_008078
TL;DR: ChemDiv1_008078 (CAS 128317-46-4) is a chemical compound with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_008078, BIM-0006188.P001, 2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazolidin-4-one, 2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one, 2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiazolidin-4-one
| Molecular Formula | C20H18ClN3O2S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 3.91642 |
| Topological Polar Surface Area | 47.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.0808 |
| Heavy Atoms | 27 |
| Complexity | 1074.576 |
Chemical Identifiers
| CAS Number | 128317-46-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC=CC=C4Cl |
Product Overview
ChemDiv1_008078 (CAS 128317-46-4), with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol. IUPAC: 2-(2-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_008078
Property Insights of ChemDiv1_008078
The XLogP value of 3.91642 indicates that ChemDiv1_008078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.24 Ų, ChemDiv1_008078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008078 has 0 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_008078?
The CAS number of ChemDiv1_008078 is 128317-46-4.
What is the molecular formula of ChemDiv1_008078?
The molecular formula of ChemDiv1_008078 is C20H18ClN3O2S.
What is the molecular weight of ChemDiv1_008078?
The molecular weight of ChemDiv1_008078 is 399.08 g/mol.
Where can I buy ChemDiv1_008078?
You can request a quote for ChemDiv1_008078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008078?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.