BAS 03539454
TL;DR: BAS 03539454 (CAS 488801-53-2) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(4-methoxyphenyl)-1-(3-methoxypropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: BAS 03539454, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 3-hydroxy-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-4-(2-thienylcarbonyl)-3-pyrr olin-2-one, 3-hydroxy-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 4-hydroxy-2-(4-methoxyphenyl)-1-(3-methoxypropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.3715 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 841.76685 |
Chemical Identifiers
| CAS Number | 488801-53-2 |
|---|---|
| SMILES | COCCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC |
Product Overview
BAS 03539454 (CAS 488801-53-2), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: 4-hydroxy-2-(4-methoxyphenyl)-1-(3-methoxypropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of BAS 03539454
Property Insights of BAS 03539454
The XLogP value of 3.3715 indicates that BAS 03539454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539454. Following Lipinski's Rule of Five, BAS 03539454 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 03539454?
The CAS number of BAS 03539454 is 488801-53-2.
What is the molecular formula of BAS 03539454?
The molecular formula of BAS 03539454 is C20H21NO5S.
What is the molecular weight of BAS 03539454?
The molecular weight of BAS 03539454 is 387.11 g/mol.
Where can I buy BAS 03539454?
You can request a quote for BAS 03539454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539454?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.