RefChem:513644
TL;DR: RefChem:513644 (CAS 617696-11-4) is a chemical compound with molecular formula C29H35N3O5 and molecular weight 505.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one, 4-(4-(Allyloxy)-3-methylbenzoyl)-5-(4-(dimethylamino)phenyl)-3-hydroxy-1-(2-(4-morpholinyl)ethyl)-1,5-dihydro-2H-pyrrol-2-one, 4-[4-(ALLYLOXY)-3-METHYLBENZOYL]-5-[4-(DIMETHYLAMINO)PHENYL]-3-HYDROXY-1-[2-(4-MORPHOLINYL)ETHYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE, 5-[4-(DIMETHYLAMINO)PHENYL]-3-HYDROXY-4-[3-METHYL-4-(PROP-2-EN-1-YLOXY)BENZOYL]-1-[2-(MORPHOLIN-4-YL)ETHYL]-2,5-DIHYDRO-1H-PYRROL-2-ONE, 644-557-3
| Molecular Formula | C29H35N3O5 |
|---|---|
| Molecular Weight | 505.26 g/mol |
| LogP | 3.37972 |
| Topological Polar Surface Area | 82.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.25766 |
| Heavy Atoms | 37 |
| Complexity | 1182.5283 |
Chemical Identifiers
| CAS Number | 617696-11-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)N(C)C)/O)OCC=C |
Product Overview
RefChem:513644 (CAS 617696-11-4), with molecular formula C29H35N3O5 and molecular weight 505.26 g/mol. IUPAC: (4E)-5-[4-(dimethylamino)phenyl]-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513644
Property Insights of RefChem:513644
The XLogP value of 3.37972 indicates that RefChem:513644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.55 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513644. Following Lipinski's Rule of Five, RefChem:513644 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:513644?
The CAS number of RefChem:513644 is 617696-11-4.
What is the molecular formula of RefChem:513644?
The molecular formula of RefChem:513644 is C29H35N3O5.
What is the molecular weight of RefChem:513644?
The molecular weight of RefChem:513644 is 505.26 g/mol.
Where can I buy RefChem:513644?
You can request a quote for RefChem:513644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.