BIM-0042880.P001
TL;DR: BIM-0042880.P001 (CAS 340305-05-7) is a chemical compound with molecular formula C21H20BrN3O4 and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromo-3-methylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0042880.P001, (5E)-1-(4-bromo-3-methylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-bromo-3-methylphenyl)-6-hydroxy-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione, (E)-1-(4-bromo-3-methylphenyl)-5-((5-(piperidin-1-yl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C21H20BrN3O4 |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 4.00722 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.06372 |
| Heavy Atoms | 29 |
| Complexity | 1020.6836 |
Chemical Identifiers
| CAS Number | 340305-05-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=O)/C(=C/C3=CC=C(O3)N4CCCCC4)/C(=O)NC2=O)Br |
Product Overview
BIM-0042880.P001 (CAS 340305-05-7), with molecular formula C21H20BrN3O4 and molecular weight 457.06 g/mol. IUPAC: (5E)-1-(4-bromo-3-methylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0042880.P001
Property Insights of BIM-0042880.P001
The XLogP value of 4.00722 indicates that BIM-0042880.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042880.P001. Following Lipinski's Rule of Five, BIM-0042880.P001 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 BIM-0042880.P001?
The CAS number of BIM-0042880.P001 is 340305-05-7.
What is the molecular formula of BIM-0042880.P001?
The molecular formula of BIM-0042880.P001 is C21H20BrN3O4.
What is the molecular weight of BIM-0042880.P001?
The molecular weight of BIM-0042880.P001 is 457.06 g/mol.
Where can I buy BIM-0042880.P001?
You can request a quote for BIM-0042880.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042880.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042880.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.