BIM-0047913.P001
TL;DR: BIM-0047913.P001 (CAS 5109-08-0) is a chemical compound with molecular formula C19H17BrN2O3 and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(3-bromophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
Also Known As: BIM-0047913.P001, (4E)-2-(3-bromophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one, 2-(3-bromophenyl)-4-(2,4-dimethoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(3-Bromophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C19H17BrN2O3 |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 4.2724 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.04224 |
| Heavy Atoms | 25 |
| Complexity | 889.988 |
Chemical Identifiers
| CAS Number | 5109-08-0 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=C(C=C(C=C2)OC)OC)C3=CC(=CC=C3)Br |
Product Overview
BIM-0047913.P001 (CAS 5109-08-0), with molecular formula C19H17BrN2O3 and molecular weight 400.04 g/mol. IUPAC: (4E)-2-(3-bromophenyl)-4-[(2,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one.
Chemical Property Profile of BIM-0047913.P001
Property Insights of BIM-0047913.P001
The XLogP value of 4.2724 indicates that BIM-0047913.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, BIM-0047913.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0047913.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-0047913.P001?
The CAS number of BIM-0047913.P001 is 5109-08-0.
What is the molecular formula of BIM-0047913.P001?
The molecular formula of BIM-0047913.P001 is C19H17BrN2O3.
What is the molecular weight of BIM-0047913.P001?
The molecular weight of BIM-0047913.P001 is 400.04 g/mol.
Where can I buy BIM-0047913.P001?
You can request a quote for BIM-0047913.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0047913.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0047913.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.