RefChem:513656
TL;DR: RefChem:513656 (CAS 618074-29-6) is a chemical compound with molecular formula C27H31NO5 and molecular weight 449.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Allyloxy)benzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one, 4-[4-(ALLYLOXY)BENZOYL]-3-HYDROXY-5-(4-ISOPROPYLPHENYL)-1-(3-METHOXYPROPYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE, (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione, 3-hydroxy-1-(3-methoxypropyl)-5-[4-(propan-2-yl)phenyl]-4-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one, 4-(4-(ALLYLOXY)BENZOYL)-3-HYDROXY-5-(4-ISOPROPYLPHENYL)-1-(3-METHOXYPROPYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C27H31NO5 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 4.833 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.2202 |
| Heavy Atoms | 33 |
| Complexity | 1021.4822 |
Chemical Identifiers
| CAS Number | 618074-29-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C(=O)N2CCCOC |
Product Overview
RefChem:513656 (CAS 618074-29-6), with molecular formula C27H31NO5 and molecular weight 449.22 g/mol. IUPAC: (4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513656
Property Insights of RefChem:513656
The XLogP value of 4.833 indicates that RefChem:513656 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:513656. Following Lipinski's Rule of Five, RefChem:513656 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:513656?
The CAS number of RefChem:513656 is 618074-29-6.
What is the molecular formula of RefChem:513656?
The molecular formula of RefChem:513656 is C27H31NO5.
What is the molecular weight of RefChem:513656?
The molecular weight of RefChem:513656 is 449.22 g/mol.
Where can I buy RefChem:513656?
You can request a quote for RefChem:513656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513656?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.