BAS 03305239
TL;DR: BAS 03305239 (CAS 369403-87-2) is a chemical compound with molecular formula C22H18FN3O4S and molecular weight 439.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: BAS 03305239, AB00116479-01, 4-(4-ethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
| Molecular Formula | C22H18FN3O4S |
|---|---|
| Molecular Weight | 439.10 g/mol |
| LogP | 4.01062 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.10022 |
| Heavy Atoms | 31 |
| Complexity | 1189.4766 |
Chemical Identifiers
| CAS Number | 369403-87-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=CC=C4F)/O |
Product Overview
BAS 03305239 (CAS 369403-87-2), with molecular formula C22H18FN3O4S and molecular weight 439.10 g/mol. IUPAC: (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03305239
Property Insights of BAS 03305239
The XLogP value of 4.01062 indicates that BAS 03305239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03305239. Following Lipinski's Rule of Five, BAS 03305239 has 1 hydrogen bond donor(s) and 7 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 03305239?
The CAS number of BAS 03305239 is 369403-87-2.
What is the molecular formula of BAS 03305239?
The molecular formula of BAS 03305239 is C22H18FN3O4S.
What is the molecular weight of BAS 03305239?
The molecular weight of BAS 03305239 is 439.10 g/mol.
Where can I buy BAS 03305239?
You can request a quote for BAS 03305239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03305239?
Yes, KEHONG BIO provides custom synthesis services for BAS 03305239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.