RefChem:513980
TL;DR: RefChem:513980 (CAS 617695-62-2) is a chemical compound with molecular formula C33H30N2O5 and molecular weight 534.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-Butoxybenzoyl)-3-hydroxy-5-(3-phenoxyphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one, 4-(4-BUTOXYBENZOYL)-3-HYDROXY-5-(3-PHENOXYPHENYL)-1-(4-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 644-534-8, RefChem:513980
| Molecular Formula | C33H30N2O5 |
|---|---|
| Molecular Weight | 534.22 g/mol |
| LogP | 6.6747 |
| Topological Polar Surface Area | 88.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 534.21545 |
| Heavy Atoms | 40 |
| Complexity | 1501.1342 |
Chemical Identifiers
| CAS Number | 617695-62-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=CC=C4)OC5=CC=CC=C5)/O |
Product Overview
RefChem:513980 (CAS 617695-62-2), with molecular formula C33H30N2O5 and molecular weight 534.22 g/mol. IUPAC: (4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(3-phenoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513980
Property Insights of RefChem:513980
The XLogP value of 6.6747 indicates that RefChem:513980 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.96 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513980. Following Lipinski's Rule of Five, RefChem:513980 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:513980?
The CAS number of RefChem:513980 is 617695-62-2.
What is the molecular formula of RefChem:513980?
The molecular formula of RefChem:513980 is C33H30N2O5.
What is the molecular weight of RefChem:513980?
The molecular weight of RefChem:513980 is 534.22 g/mol.
Where can I buy RefChem:513980?
You can request a quote for RefChem:513980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513980?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.