BAS 03353629
TL;DR: BAS 03353629 (CAS 431910-27-9) is a chemical compound with molecular formula C21H20ClFN2O3 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Also Known As: BAS 03353629, AB00118392-01, 5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, (4E)-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione, 5-(4-chlorophenyl)-1-(2-(dimethylamino)ethyl)-4-(4-fluorobenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C21H20ClFN2O3 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 3.4624 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.11465 |
| Heavy Atoms | 28 |
| Complexity | 923.6718 |
Chemical Identifiers
| CAS Number | 431910-27-9 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC=C(C=C2)F)\O)/C(=O)C1=O)C3=CC=C(C=C3)Cl |
Product Overview
BAS 03353629 (CAS 431910-27-9), with molecular formula C21H20ClFN2O3 and molecular weight 402.11 g/mol. IUPAC: (4E)-5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03353629
Property Insights of BAS 03353629
The XLogP value of 3.4624 indicates that BAS 03353629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03353629. Following Lipinski's Rule of Five, BAS 03353629 has 1 hydrogen bond donor(s) and 4 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 03353629?
The CAS number of BAS 03353629 is 431910-27-9.
What is the molecular formula of BAS 03353629?
The molecular formula of BAS 03353629 is C21H20ClFN2O3.
What is the molecular weight of BAS 03353629?
The molecular weight of BAS 03353629 is 402.11 g/mol.
Where can I buy BAS 03353629?
You can request a quote for BAS 03353629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03353629?
Yes, KEHONG BIO provides custom synthesis services for BAS 03353629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.