BAS 03539411
TL;DR: BAS 03539411 (CAS 433312-06-2) 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-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: BAS 03539411, 4-(4-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 4-[(4-chlorophenyl)carbonyl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C23H24ClNO6 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 3.8154 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.1292 |
| Heavy Atoms | 31 |
| Complexity | 1001.62634 |
Chemical Identifiers
| CAS Number | 433312-06-2 |
|---|---|
| SMILES | COCCCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 03539411 (CAS 433312-06-2), with molecular formula C23H24ClNO6 and molecular weight 445.13 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539411
Property Insights of BAS 03539411
The XLogP value of 3.8154 indicates that BAS 03539411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539411. Following Lipinski's Rule of Five, BAS 03539411 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 03539411?
The CAS number of BAS 03539411 is 433312-06-2.
What is the molecular formula of BAS 03539411?
The molecular formula of BAS 03539411 is C23H24ClNO6.
What is the molecular weight of BAS 03539411?
The molecular weight of BAS 03539411 is 445.13 g/mol.
Where can I buy BAS 03539411?
You can request a quote for BAS 03539411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539411?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.