RefChem:513709
TL;DR: RefChem:513709 (CAS 488862-01-7) is a chemical compound with molecular formula C31H25N3O6 and molecular weight 535.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-3-hydroxy-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, 4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-3-HYDROXY-5-(3-NITROPHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 1,5-Dihydro-3-hydroxy-4-[2-methyl-4-(phenylmethoxy)benzoyl]-5-(3-nitrophenyl)-1-(3-pyridinylmethyl)-2H-pyrrol-2-one, 4-(4-(BENZYLOXY)-2-METHYLBENZOYL)-3-HYDROXY-5-(3-NITROPHENYL)-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C31H25N3O6 |
|---|---|
| Molecular Weight | 535.17 g/mol |
| LogP | 5.49912 |
| Topological Polar Surface Area | 122.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.1743 |
| Heavy Atoms | 40 |
| Complexity | 1618.9075 |
Chemical Identifiers
| CAS Number | 488862-01-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])/O |
Product Overview
RefChem:513709 (CAS 488862-01-7), with molecular formula C31H25N3O6 and molecular weight 535.17 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513709
Property Insights of RefChem:513709
The XLogP value of 5.49912 indicates that RefChem:513709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513709. Following Lipinski's Rule of Five, RefChem:513709 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:513709?
The CAS number of RefChem:513709 is 488862-01-7.
What is the molecular formula of RefChem:513709?
The molecular formula of RefChem:513709 is C31H25N3O6.
What is the molecular weight of RefChem:513709?
The molecular weight of RefChem:513709 is 535.17 g/mol.
Where can I buy RefChem:513709?
You can request a quote for RefChem:513709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513709?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.