RefChem:512859
TL;DR: RefChem:512859 (CAS 618080-63-0) is a chemical compound with molecular formula C30H32N2O6 and molecular weight 516.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-(3,4-Dimethoxybenzoyl)-3-hydroxy-5-(4-(pentyloxy)phenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, 4-(3,4-DIMETHOXYBENZOYL)-3-HYDROXY-5-(4-(PENTYLOXY)PHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 4-(3,4-DIMETHOXYBENZOYL)-3-HYDROXY-5-[4-(PENTYLOXY)PHENYL]-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 645-628-1, RefChem:512859
| Molecular Formula | C30H32N2O6 |
|---|---|
| Molecular Weight | 516.23 g/mol |
| LogP | 5.2897 |
| Topological Polar Surface Area | 98.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.226 |
| Heavy Atoms | 38 |
| Complexity | 1304.0781 |
Chemical Identifiers
| CAS Number | 618080-63-0 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C(=O)N2CC4=CN=CC=C4 |
Product Overview
RefChem:512859 (CAS 618080-63-0), with molecular formula C30H32N2O6 and molecular weight 516.23 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:512859
Property Insights of RefChem:512859
The XLogP value of 5.2897 indicates that RefChem:512859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.19 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:512859. Following Lipinski's Rule of Five, RefChem:512859 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:512859?
The CAS number of RefChem:512859 is 618080-63-0.
What is the molecular formula of RefChem:512859?
The molecular formula of RefChem:512859 is C30H32N2O6.
What is the molecular weight of RefChem:512859?
The molecular weight of RefChem:512859 is 516.23 g/mol.
Where can I buy RefChem:512859?
You can request a quote for RefChem:512859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:512859?
Yes, KEHONG BIO provides custom synthesis services for RefChem:512859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.