BAS 03539419
TL;DR: BAS 03539419 (CAS 433262-40-9) is a chemical compound with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: BAS 03539419, 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C21H20ClNO5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.5038 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.103 |
| Heavy Atoms | 28 |
| Complexity | 905.39813 |
Chemical Identifiers
| CAS Number | 433262-40-9 |
|---|---|
| SMILES | COCCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=C(C=C3)O |
Product Overview
BAS 03539419 (CAS 433262-40-9), with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539419
Property Insights of BAS 03539419
The XLogP value of 3.5038 indicates that BAS 03539419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539419. Following Lipinski's Rule of Five, BAS 03539419 has 2 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 03539419?
The CAS number of BAS 03539419 is 433262-40-9.
What is the molecular formula of BAS 03539419?
The molecular formula of BAS 03539419 is C21H20ClNO5.
What is the molecular weight of BAS 03539419?
The molecular weight of BAS 03539419 is 401.10 g/mol.
Where can I buy BAS 03539419?
You can request a quote for BAS 03539419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539419?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.