RefChem:513231
TL;DR: RefChem:513231 (CAS 618073-82-8) is a chemical compound with molecular formula C24H19FN2O4 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-(3-Fluoro-4-methylbenzoyl)-3-hydroxy-5-(3-hydroxyphenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, 4-(3-FLUORO-4-METHYLBENZOYL)-3-HYDROXY-5-(3-HYDROXYPHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 645-701-8, RefChem:513231
| Molecular Formula | C24H19FN2O4 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 3.85662 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.13287 |
| Heavy Atoms | 31 |
| Complexity | 1207.2109 |
Chemical Identifiers
| CAS Number | 618073-82-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)O)/O)F |
Product Overview
RefChem:513231 (CAS 618073-82-8), with molecular formula C24H19FN2O4 and molecular weight 418.13 g/mol. IUPAC: (4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513231
Property Insights of RefChem:513231
The XLogP value of 3.85662 indicates that RefChem:513231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513231. Following Lipinski's Rule of Five, RefChem:513231 has 2 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 RefChem:513231?
The CAS number of RefChem:513231 is 618073-82-8.
What is the molecular formula of RefChem:513231?
The molecular formula of RefChem:513231 is C24H19FN2O4.
What is the molecular weight of RefChem:513231?
The molecular weight of RefChem:513231 is 418.13 g/mol.
Where can I buy RefChem:513231?
You can request a quote for RefChem:513231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513231?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.