RefChem:529771
TL;DR: RefChem:529771 (CAS 618072-95-0) is a chemical compound with molecular formula C25H23BrFN3O6 and molecular weight 559.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Also Known As: 1-(3-(1H-Imidazol-1-yl)propyl)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-HY droxy-1-(3-(1H-imidazol-1-YL)propyl)-1,5-dihydro-2H-pyrrol-2-one, 5-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-4-(3-FLUORO-4-METHOXYBENZOYL)-3-HY DROXY-1-[3-(1H-IMIDAZOL-1-YL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE, 645-693-6, RefChem:529771
| Molecular Formula | C25H23BrFN3O6 |
|---|---|
| Molecular Weight | 559.08 g/mol |
| LogP | 4.0195 |
| Topological Polar Surface Area | 114.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 559.07544 |
| Heavy Atoms | 36 |
| Complexity | 1341.8125 |
Chemical Identifiers
| CAS Number | 618072-95-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=C(C(=C4)Br)O)OC)/O)F |
Product Overview
RefChem:529771 (CAS 618072-95-0), with molecular formula C25H23BrFN3O6 and molecular weight 559.08 g/mol. IUPAC: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:529771
Property Insights of RefChem:529771
The XLogP value of 4.0195 indicates that RefChem:529771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:529771. Following Lipinski's Rule of Five, RefChem:529771 has 2 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:529771?
The CAS number of RefChem:529771 is 618072-95-0.
What is the molecular formula of RefChem:529771?
The molecular formula of RefChem:529771 is C25H23BrFN3O6.
What is the molecular weight of RefChem:529771?
The molecular weight of RefChem:529771 is 559.08 g/mol.
Where can I buy RefChem:529771?
You can request a quote for RefChem:529771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:529771?
Yes, KEHONG BIO provides custom synthesis services for RefChem:529771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.