BAS 03539402
TL;DR: BAS 03539402 (CAS 488101-24-2) is a chemical compound with molecular formula C22H22ClNO5 and molecular weight 415.12 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-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: BAS 03539402, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H22ClNO5 |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 3.8068 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.11865 |
| Heavy Atoms | 29 |
| Complexity | 921.22375 |
Chemical Identifiers
| CAS Number | 488101-24-2 |
|---|---|
| SMILES | COCCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=C(C=C3)OC |
Product Overview
BAS 03539402 (CAS 488101-24-2), with molecular formula C22H22ClNO5 and molecular weight 415.12 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539402
Property Insights of BAS 03539402
The XLogP value of 3.8068 indicates that BAS 03539402 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 03539402. Following Lipinski's Rule of Five, BAS 03539402 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 03539402?
The CAS number of BAS 03539402 is 488101-24-2.
What is the molecular formula of BAS 03539402?
The molecular formula of BAS 03539402 is C22H22ClNO5.
What is the molecular weight of BAS 03539402?
The molecular weight of BAS 03539402 is 415.12 g/mol.
Where can I buy BAS 03539402?
You can request a quote for BAS 03539402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539402?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.