RefChem:513689
TL;DR: RefChem:513689 (CAS 496799-45-2) is a chemical compound with molecular formula C31H33N3O6 and molecular weight 543.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-1-(2-diethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 4-(4-(BENZYLOXY)-2-METHYLBENZOYL)-1-(2-(DIETHYLAMINO)ETHYL)-3-HYDROXY-5-(3-NITROPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C31H33N3O6 |
|---|---|
| Molecular Weight | 543.24 g/mol |
| LogP | 5.24572 |
| Topological Polar Surface Area | 113.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 543.23694 |
| Heavy Atoms | 40 |
| Complexity | 1431.993 |
Chemical Identifiers
| CAS Number | 496799-45-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
RefChem:513689 (CAS 496799-45-2), with molecular formula C31H33N3O6 and molecular weight 543.24 g/mol. IUPAC: (4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513689
Property Insights of RefChem:513689
The XLogP value of 5.24572 indicates that RefChem:513689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513689. Following Lipinski's Rule of Five, RefChem:513689 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:513689?
The CAS number of RefChem:513689 is 496799-45-2.
What is the molecular formula of RefChem:513689?
The molecular formula of RefChem:513689 is C31H33N3O6.
What is the molecular weight of RefChem:513689?
The molecular weight of RefChem:513689 is 543.24 g/mol.
Where can I buy RefChem:513689?
You can request a quote for RefChem:513689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.