BIM-0013492.P001
TL;DR: BIM-0013492.P001 (CAS 5201-80-9) is a chemical compound with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]pyrazolidine-3,5-dione
Also Known As: BIM-0013492.P001, 3-(p-Aminophenyl)-3-azabicyclo<3.2.2>nonan, 4-(3-azabicyclo[3.2.2]non-3-yl)phenylamine, (4E)-1-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]pyrazolidine-3,5-dione, 1-(4-METHYLPHENYL)-4-[(E)-1-(3-NITROPHENYL)METHYLIDENE]-1H-PYRAZOLE-3,5(2H,4H)-DIONE
| Molecular Formula | C17H13N3O4 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 2.36462 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0906 |
| Heavy Atoms | 24 |
| Complexity | 871.6593 |
Chemical Identifiers
| CAS Number | 5201-80-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)N2 |
Product Overview
BIM-0013492.P001 (CAS 5201-80-9), with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol. IUPAC: (4E)-1-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]pyrazolidine-3,5-dione.
Chemical Property Profile of BIM-0013492.P001
Property Insights of BIM-0013492.P001
The XLogP value of 2.36462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0013492.P001. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0013492.P001. Following Lipinski's Rule of Five, BIM-0013492.P001 has 1 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-0013492.P001?
The CAS number of BIM-0013492.P001 is 5201-80-9.
What is the molecular formula of BIM-0013492.P001?
The molecular formula of BIM-0013492.P001 is C17H13N3O4.
What is the molecular weight of BIM-0013492.P001?
The molecular weight of BIM-0013492.P001 is 323.09 g/mol.
Where can I buy BIM-0013492.P001?
You can request a quote for BIM-0013492.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0013492.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0013492.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.