BIM-0047894.P001
TL;DR: BIM-0047894.P001 (CAS 473574-90-2) is a chemical compound with molecular formula C21H20BrN3O2 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromophenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: BIM-0047894.P001, AO-081/14336109, 2-(3-bromophenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(3-bromophenyl)-9-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C21H20BrN3O2 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 3.29312 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 425.07388 |
| Heavy Atoms | 27 |
| Complexity | 929.2789 |
Chemical Identifiers
| CAS Number | 473574-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Br)N5N2CCC5 |
Product Overview
BIM-0047894.P001 (CAS 473574-90-2), with molecular formula C21H20BrN3O2 and molecular weight 425.07 g/mol. IUPAC: 4-(3-bromophenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of BIM-0047894.P001
Property Insights of BIM-0047894.P001
The XLogP value of 3.29312 indicates that BIM-0047894.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, BIM-0047894.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0047894.P001 has 0 hydrogen bond donor(s) and 4 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-0047894.P001?
The CAS number of BIM-0047894.P001 is 473574-90-2.
What is the molecular formula of BIM-0047894.P001?
The molecular formula of BIM-0047894.P001 is C21H20BrN3O2.
What is the molecular weight of BIM-0047894.P001?
The molecular weight of BIM-0047894.P001 is 425.07 g/mol.
Where can I buy BIM-0047894.P001?
You can request a quote for BIM-0047894.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0047894.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0047894.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.