RefChem:513203
TL;DR: RefChem:513203 (CAS 618074-99-0) is a chemical compound with molecular formula C21H21FN2O5 and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
Also Known As: 4-(3-Fluoro-4-methoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(pyridin-3-yl)-1H-pyrrol-2(5H)-one, 4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(3-pyridinyl)-1, 4-(3-FLUORO-4-METHOXYBENZOYL)-3-HYDROXY-1-(3-METHOXYPROPYL)-5-(3-PYRIDINYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 645-662-7, RefChem:513203
| Molecular Formula | C21H21FN2O5 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 2.6875 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.14346 |
| Heavy Atoms | 29 |
| Complexity | 945.3426 |
Chemical Identifiers
| CAS Number | 618074-99-0 |
|---|---|
| SMILES | COCCCN1C(/C(=C(/C2=CC(=C(C=C2)OC)F)\O)/C(=O)C1=O)C3=CN=CC=C3 |
Product Overview
RefChem:513203 (CAS 618074-99-0), with molecular formula C21H21FN2O5 and molecular weight 400.14 g/mol. IUPAC: (4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513203
Property Insights of RefChem:513203
The XLogP value of 2.6875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:513203. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513203. Following Lipinski's Rule of Five, RefChem:513203 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 RefChem:513203?
The CAS number of RefChem:513203 is 618074-99-0.
What is the molecular formula of RefChem:513203?
The molecular formula of RefChem:513203 is C21H21FN2O5.
What is the molecular weight of RefChem:513203?
The molecular weight of RefChem:513203 is 400.14 g/mol.
Where can I buy RefChem:513203?
You can request a quote for RefChem:513203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513203?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.