BAS 03539850
TL;DR: BAS 03539850 (CAS 459793-69-2) is a chemical compound with molecular formula C23H25FN2O4 and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: BAS 03539850, (4E)-1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione, 1-(2-(dimethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C23H25FN2O4 |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 3.12602 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.17984 |
| Heavy Atoms | 30 |
| Complexity | 998.76276 |
Chemical Identifiers
| CAS Number | 459793-69-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)F)/O |
Product Overview
BAS 03539850 (CAS 459793-69-2), with molecular formula C23H25FN2O4 and molecular weight 412.18 g/mol. IUPAC: (4E)-1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03539850
Property Insights of BAS 03539850
The XLogP value of 3.12602 indicates that BAS 03539850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539850. Following Lipinski's Rule of Five, BAS 03539850 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 03539850?
The CAS number of BAS 03539850 is 459793-69-2.
What is the molecular formula of BAS 03539850?
The molecular formula of BAS 03539850 is C23H25FN2O4.
What is the molecular weight of BAS 03539850?
The molecular weight of BAS 03539850 is 412.18 g/mol.
Where can I buy BAS 03539850?
You can request a quote for BAS 03539850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539850?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.