RefChem:513733
TL;DR: RefChem:513733 (CAS 497247-66-2) is a chemical compound with molecular formula C31H25ClN2O4 and molecular weight 524.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-chlorophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, 4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(4-CHLOROPHENYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, (4E)-5-(4-chlorophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-(4-(BENZYLOXY)-2-METHYLBENZOYL)-5-(4-CHLOROPHENYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(4-chlorophenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C31H25ClN2O4 |
|---|---|
| Molecular Weight | 524.15 g/mol |
| LogP | 6.24432 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.15027 |
| Heavy Atoms | 38 |
| Complexity | 1502.418 |
Chemical Identifiers
| CAS Number | 497247-66-2 |
|---|---|
| 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=C(C=C5)Cl)/O |
Product Overview
RefChem:513733 (CAS 497247-66-2), with molecular formula C31H25ClN2O4 and molecular weight 524.15 g/mol. IUPAC: (4E)-5-(4-chlorophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513733
Property Insights of RefChem:513733
The XLogP value of 6.24432 indicates that RefChem:513733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513733. Following Lipinski's Rule of Five, RefChem:513733 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:513733?
The CAS number of RefChem:513733 is 497247-66-2.
What is the molecular formula of RefChem:513733?
The molecular formula of RefChem:513733 is C31H25ClN2O4.
What is the molecular weight of RefChem:513733?
The molecular weight of RefChem:513733 is 524.15 g/mol.
Where can I buy RefChem:513733?
You can request a quote for RefChem:513733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513733?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.