BAS 02378697
TL;DR: BAS 02378697 (CAS 431885-83-5) is a chemical compound with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: BAS 02378697, AB00115429-01, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C23H16ClFN2O3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.496 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.08334 |
| Heavy Atoms | 30 |
| Complexity | 1146.6245 |
Chemical Identifiers
| CAS Number | 431885-83-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CC4=CN=CC=C4)F |
Product Overview
BAS 02378697 (CAS 431885-83-5), with molecular formula C23H16ClFN2O3 and molecular weight 422.08 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 02378697
Property Insights of BAS 02378697
The XLogP value of 4.496 indicates that BAS 02378697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02378697. Following Lipinski's Rule of Five, BAS 02378697 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 02378697?
The CAS number of BAS 02378697 is 431885-83-5.
What is the molecular formula of BAS 02378697?
The molecular formula of BAS 02378697 is C23H16ClFN2O3.
What is the molecular weight of BAS 02378697?
The molecular weight of BAS 02378697 is 422.08 g/mol.
Where can I buy BAS 02378697?
You can request a quote for BAS 02378697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02378697?
Yes, KEHONG BIO provides custom synthesis services for BAS 02378697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.