BAS 02234829
TL;DR: BAS 02234829 (CAS 314735-52-9) is a chemical compound with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: BAS 02234829, 4-(4-fluorobenzoyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C22H18FN3O3S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.4269 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.1053 |
| Heavy Atoms | 30 |
| Complexity | 1123.4492 |
Chemical Identifiers
| CAS Number | 314735-52-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NN=CS4 |
Product Overview
BAS 02234829 (CAS 314735-52-9), with molecular formula C22H18FN3O3S and molecular weight 423.11 g/mol. IUPAC: 4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 02234829
Property Insights of BAS 02234829
The XLogP value of 4.4269 indicates that BAS 02234829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02234829. Following Lipinski's Rule of Five, BAS 02234829 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 BAS 02234829?
The CAS number of BAS 02234829 is 314735-52-9.
What is the molecular formula of BAS 02234829?
The molecular formula of BAS 02234829 is C22H18FN3O3S.
What is the molecular weight of BAS 02234829?
The molecular weight of BAS 02234829 is 423.11 g/mol.
Where can I buy BAS 02234829?
You can request a quote for BAS 02234829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02234829?
Yes, KEHONG BIO provides custom synthesis services for BAS 02234829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.