RefChem:421212
TL;DR: RefChem:421212 (CAS 618074-16-1) is a chemical compound with molecular formula C29H37FN2O4 and molecular weight 496.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(2-(Diethylamino)ethyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-(pentyloxy)phenyl)-1H-pyrrol-2(5H)-one, 1-(2-(Diethylamino)ethyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-(pentyloxy)phenyl)-1,5-dihydro-2H-pyrrol-2-one, 1-[2-(DIETHYLAMINO)ETHYL]-4-(3-FLUORO-4-METHYLBENZOYL)-3-HYDROXY-5-[4-(PENTYLOXY)PHENYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE, 645-652-2, RefChem:421212
| Molecular Formula | C29H37FN2O4 |
|---|---|
| Molecular Weight | 496.27 g/mol |
| LogP | 5.46662 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 496.27374 |
| Heavy Atoms | 36 |
| Complexity | 1092.953 |
Chemical Identifiers
| CAS Number | 618074-16-1 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C(=O)N2CCN(CC)CC |
Product Overview
RefChem:421212 (CAS 618074-16-1), with molecular formula C29H37FN2O4 and molecular weight 496.27 g/mol. IUPAC: (4E)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:421212
Property Insights of RefChem:421212
The XLogP value of 5.46662 indicates that RefChem:421212 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 RefChem:421212. Following Lipinski's Rule of Five, RefChem:421212 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:421212?
The CAS number of RefChem:421212 is 618074-16-1.
What is the molecular formula of RefChem:421212?
The molecular formula of RefChem:421212 is C29H37FN2O4.
What is the molecular weight of RefChem:421212?
The molecular weight of RefChem:421212 is 496.27 g/mol.
Where can I buy RefChem:421212?
You can request a quote for RefChem:421212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:421212?
Yes, KEHONG BIO provides custom synthesis services for RefChem:421212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.