ChemDiv1_008034
TL;DR: ChemDiv1_008034 (CAS 302549-05-9) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 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-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
Also Known As: ChemDiv1_008034, BIM-0007696.P001, AB00096034-01, AB00096034-08, 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 302549-05-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(SCC3=O)C4=CC(=C(C=C4)O)OC |
| InChIKey | MGZAAZJDJOKEQN-UHFFFAOYSA-N |
Product Overview
ChemDiv1_008034 (CAS 302549-05-9), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv1_008034
Property Insights of ChemDiv1_008034
The XLogP value of 3.3 indicates that ChemDiv1_008034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008034. Following Lipinski's Rule of Five, ChemDiv1_008034 has 1 hydrogen bond donor(s) and 6 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_008034?
The CAS number of ChemDiv1_008034 is 302549-05-9.
What is the molecular formula of ChemDiv1_008034?
The molecular formula of ChemDiv1_008034 is C21H21N3O4S.
What is the molecular weight of ChemDiv1_008034?
The molecular weight of ChemDiv1_008034 is 411.13 g/mol.
Where can I buy ChemDiv1_008034?
You can request a quote for ChemDiv1_008034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008034?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.