BAS 03539417
TL;DR: BAS 03539417 (CAS 488824-99-3) is a chemical compound with molecular formula C23H24ClNO6 and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: BAS 03539417, AS-871/41501813, 4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
| Molecular Formula | C23H24ClNO6 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 3.9025 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.1292 |
| Heavy Atoms | 31 |
| Complexity | 1001.62634 |
Chemical Identifiers
| CAS Number | 488824-99-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCCOC)O |
Product Overview
BAS 03539417 (CAS 488824-99-3), with molecular formula C23H24ClNO6 and molecular weight 445.13 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539417
Property Insights of BAS 03539417
The XLogP value of 3.9025 indicates that BAS 03539417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539417. Following Lipinski's Rule of Five, BAS 03539417 has 2 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 03539417?
The CAS number of BAS 03539417 is 488824-99-3.
What is the molecular formula of BAS 03539417?
The molecular formula of BAS 03539417 is C23H24ClNO6.
What is the molecular weight of BAS 03539417?
The molecular weight of BAS 03539417 is 445.13 g/mol.
Where can I buy BAS 03539417?
You can request a quote for BAS 03539417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539417?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.