BAS 03539456
TL;DR: BAS 03539456 (CAS 433324-72-2) is a chemical compound with molecular formula C22H25NO4S and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: BAS 03539456, 3-Hydroxy-1-(3-methoxypropyl)-5-[4-(methylethyl)phenyl]-4-(2-thienylcarbonyl)-3-pyrrolin-2-one, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(3-methoxypropyl)-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione, 3-hydroxy-1-(3-methoxypropyl)-5-[4-(methylethyl)phenyl]-4-(2-thienylcarbonyl)- 3-pyrrolin-2-one, 3-hydroxy-5-(4-isopropylphenyl)-1-(3-methoxypropyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H25NO4S |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 4.4863 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.15042 |
| Heavy Atoms | 28 |
| Complexity | 868.45154 |
Chemical Identifiers
| CAS Number | 433324-72-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCOC)O)C(=O)C3=CC=CS3 |
Product Overview
BAS 03539456 (CAS 433324-72-2), with molecular formula C22H25NO4S and molecular weight 399.15 g/mol. IUPAC: 4-hydroxy-1-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 03539456
Property Insights of BAS 03539456
The XLogP value of 4.4863 indicates that BAS 03539456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539456. Following Lipinski's Rule of Five, BAS 03539456 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 03539456?
The CAS number of BAS 03539456 is 433324-72-2.
What is the molecular formula of BAS 03539456?
The molecular formula of BAS 03539456 is C22H25NO4S.
What is the molecular weight of BAS 03539456?
The molecular weight of BAS 03539456 is 399.15 g/mol.
Where can I buy BAS 03539456?
You can request a quote for BAS 03539456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539456?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.