BAS 03321641
TL;DR: BAS 03321641 (CAS 440096-98-0) is a chemical compound with molecular formula C25H24BrN3O4 and molecular weight 509.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Also Known As: BAS 03321641, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione, 1-(3-(1H-imidazol-1-yl)propyl)-4-(4-bromobenzoyl)-5-(4-ethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, 4-(4-BROMOBENZOYL)-5-(4-ETHOXYPHENYL)-3-HYDROXY-1-[3-(1H-IMIDAZOL-1-YL)PROPYL]-2,5-DIHYDRO-1H-PYRROL-2-ONE, 4-[(4-bromophenyl)carbonyl]-5-(4-ethoxyphenyl)-3-hydroxy-1-(3-imidazolylpropyl )-3-pyrrolin-2-one
| Molecular Formula | C25H24BrN3O4 |
|---|---|
| Molecular Weight | 509.10 g/mol |
| LogP | 4.5563 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.09503 |
| Heavy Atoms | 33 |
| Complexity | 1155.3774 |
Chemical Identifiers
| CAS Number | 440096-98-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CCCN4C=CN=C4 |
Product Overview
BAS 03321641 (CAS 440096-98-0), with molecular formula C25H24BrN3O4 and molecular weight 509.10 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of BAS 03321641
Property Insights of BAS 03321641
The XLogP value of 4.5563 indicates that BAS 03321641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03321641. Following Lipinski's Rule of Five, BAS 03321641 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 BAS 03321641?
The CAS number of BAS 03321641 is 440096-98-0.
What is the molecular formula of BAS 03321641?
The molecular formula of BAS 03321641 is C25H24BrN3O4.
What is the molecular weight of BAS 03321641?
The molecular weight of BAS 03321641 is 509.10 g/mol.
Where can I buy BAS 03321641?
You can request a quote for BAS 03321641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03321641?
Yes, KEHONG BIO provides custom synthesis services for BAS 03321641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.