BIM-0043732.P001
TL;DR: BIM-0043732.P001 (CAS 6041-90-3) is a chemical compound with molecular formula C20H17N3O7 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: BIM-0043732.P001, 3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 3-[4-(4,5-dimethoxy-2-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid, 3-{(4Z)-4-[(4,5-Dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
| Molecular Formula | C20H17N3O7 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.1163 |
| Topological Polar Surface Area | 131.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.10666 |
| Heavy Atoms | 30 |
| Complexity | 1121.3783 |
Chemical Identifiers
| CAS Number | 6041-90-3 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CC(=C3)C(=O)O |
Product Overview
BIM-0043732.P001 (CAS 6041-90-3), with molecular formula C20H17N3O7 and molecular weight 411.11 g/mol. IUPAC: 3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of BIM-0043732.P001
Property Insights of BIM-0043732.P001
The XLogP value of 3.1163 indicates that BIM-0043732.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0043732.P001. Following Lipinski's Rule of Five, BIM-0043732.P001 has 1 hydrogen bond donor(s) and 7 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-0043732.P001?
The CAS number of BIM-0043732.P001 is 6041-90-3.
What is the molecular formula of BIM-0043732.P001?
The molecular formula of BIM-0043732.P001 is C20H17N3O7.
What is the molecular weight of BIM-0043732.P001?
The molecular weight of BIM-0043732.P001 is 411.11 g/mol.
Where can I buy BIM-0043732.P001?
You can request a quote for BIM-0043732.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0043732.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0043732.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.