BAS 03539172
TL;DR: BAS 03539172 (CAS 433305-94-3) is a chemical compound with molecular formula C21H20FNO5 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Also Known As: BAS 03539172, 5-(4-fluorophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-2,5-dihydro-1H-pyrrol-2-one, 5-(4-fluorophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one, (4E)-5-(4-fluorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione, (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
| Molecular Formula | C21H20FNO5 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.9024 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.13254 |
| Heavy Atoms | 28 |
| Complexity | 905.39813 |
Chemical Identifiers
| CAS Number | 433305-94-3 |
|---|---|
| SMILES | COCCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)F |
Product Overview
BAS 03539172 (CAS 433305-94-3), with molecular formula C21H20FNO5 and molecular weight 385.13 g/mol. IUPAC: (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539172
Property Insights of BAS 03539172
The XLogP value of 2.9024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03539172. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539172. Following Lipinski's Rule of Five, BAS 03539172 has 1 hydrogen bond donor(s) and 5 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 03539172?
The CAS number of BAS 03539172 is 433305-94-3.
What is the molecular formula of BAS 03539172?
The molecular formula of BAS 03539172 is C21H20FNO5.
What is the molecular weight of BAS 03539172?
The molecular weight of BAS 03539172 is 385.13 g/mol.
Where can I buy BAS 03539172?
You can request a quote for BAS 03539172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539172?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.