RefChem:513730
TL;DR: RefChem:513730 (CAS 498535-68-5) is a chemical compound with molecular formula C29H28BrNO5 and molecular weight 549.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(4-bromophenyl)-3-hydroxy-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one, 4-[4-(benzyloxy)-2-methylbenzoyl]-5-(4-bromophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-5-(4-bromophenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-5-(4-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(4-bromophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C29H28BrNO5 |
|---|---|
| Molecular Weight | 549.12 g/mol |
| LogP | 5.79472 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.1151 |
| Heavy Atoms | 36 |
| Complexity | 1270.5818 |
Chemical Identifiers
| CAS Number | 498535-68-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCOC)C4=CC=C(C=C4)Br)/O |
Product Overview
RefChem:513730 (CAS 498535-68-5), with molecular formula C29H28BrNO5 and molecular weight 549.12 g/mol. IUPAC: (4E)-5-(4-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:513730
Property Insights of RefChem:513730
The XLogP value of 5.79472 indicates that RefChem:513730 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:513730. Following Lipinski's Rule of Five, RefChem:513730 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:513730?
The CAS number of RefChem:513730 is 498535-68-5.
What is the molecular formula of RefChem:513730?
The molecular formula of RefChem:513730 is C29H28BrNO5.
What is the molecular weight of RefChem:513730?
The molecular weight of RefChem:513730 is 549.12 g/mol.
Where can I buy RefChem:513730?
You can request a quote for RefChem:513730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513730?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.