RefChem:513691
TL;DR: RefChem:513691 (CAS 617694-20-9) is a chemical compound with molecular formula C31H34N2O5 and molecular weight 514.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Also Known As: SALOR-INT L436348-1EA, 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(4-hydroxyphenyl)-1H-pyrrol-2(5H)-one, 4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-5-(4-HYDROXYPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, (4E)-1-(2-diethylaminoethyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione, 4-(4-(BENZYLOXY)-2-METHYLBENZOYL)-1-(2-(DIETHYLAMINO)ETHYL)-3-HYDROXY-5-(4-HYDROXYPHENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C31H34N2O5 |
|---|---|
| Molecular Weight | 514.25 g/mol |
| LogP | 5.04312 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.24677 |
| Heavy Atoms | 38 |
| Complexity | 1313.8563 |
Chemical Identifiers
| CAS Number | 617694-20-9 |
|---|---|
| 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)O |
Product Overview
RefChem:513691 (CAS 617694-20-9), with molecular formula C31H34N2O5 and molecular weight 514.25 g/mol. IUPAC: (4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513691
Property Insights of RefChem:513691
The XLogP value of 5.04312 indicates that RefChem:513691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513691. Following Lipinski's Rule of Five, RefChem:513691 has 2 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:513691?
The CAS number of RefChem:513691 is 617694-20-9.
What is the molecular formula of RefChem:513691?
The molecular formula of RefChem:513691 is C31H34N2O5.
What is the molecular weight of RefChem:513691?
The molecular weight of RefChem:513691 is 514.25 g/mol.
Where can I buy RefChem:513691?
You can request a quote for RefChem:513691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513691?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.