ChemDiv1_001769
TL;DR: ChemDiv1_001769 (CAS 313391-90-1) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_001769, 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one, F0227-0168, AE-641/02343009, 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 3.66172 |
| Topological Polar Surface Area | 56.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 1086.9855 |
Chemical Identifiers
| CAS Number | 313391-90-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2N(C(=O)CS2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
Product Overview
ChemDiv1_001769 (CAS 313391-90-1), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_001769
Property Insights of ChemDiv1_001769
The XLogP value of 3.66172 indicates that ChemDiv1_001769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.47 Ų, ChemDiv1_001769 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_001769 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_001769?
The CAS number of ChemDiv1_001769 is 313391-90-1.
What is the molecular formula of ChemDiv1_001769?
The molecular formula of ChemDiv1_001769 is C22H23N3O3S.
What is the molecular weight of ChemDiv1_001769?
The molecular weight of ChemDiv1_001769 is 409.15 g/mol.
Where can I buy ChemDiv1_001769?
You can request a quote for ChemDiv1_001769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001769?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.