RefChem:513731
TL;DR: RefChem:513731 (CAS 498569-22-5) is a chemical compound with molecular formula C31H33ClN2O4 and molecular weight 532.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 4-[4-(benzyloxy)-2-methylbenzoyl]-5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(4-chlorophenyl)-1-(2-diethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione, 4-(4-(BENZYLOXY)-2-METHYLBENZOYL)-5-(4-CHLOROPHENYL)-1-(2-(DIETHYLAMINO)ETHYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE, 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C31H33ClN2O4 |
|---|---|
| Molecular Weight | 532.21 g/mol |
| LogP | 5.99092 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.2129 |
| Heavy Atoms | 38 |
| Complexity | 1317.466 |
Chemical Identifiers
| CAS Number | 498569-22-5 |
|---|---|
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=C(C=C4)Cl |
Product Overview
RefChem:513731 (CAS 498569-22-5), with molecular formula C31H33ClN2O4 and molecular weight 532.21 g/mol. IUPAC: (4E)-5-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513731
Property Insights of RefChem:513731
The XLogP value of 5.99092 indicates that RefChem:513731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513731. Following Lipinski's Rule of Five, RefChem:513731 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:513731?
The CAS number of RefChem:513731 is 498569-22-5.
What is the molecular formula of RefChem:513731?
The molecular formula of RefChem:513731 is C31H33ClN2O4.
What is the molecular weight of RefChem:513731?
The molecular weight of RefChem:513731 is 532.21 g/mol.
Where can I buy RefChem:513731?
You can request a quote for RefChem:513731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513731?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.