BIM-0033412.P001
TL;DR: BIM-0033412.P001 (CAS 1164515-07-4) is a chemical compound with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-phenylpyrazol-3-one
Also Known As: BIM-0033412.P001, 4-[(dimethylamino)methylene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-phenylpyrazol-3-one, (4Z)-4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 3H-pyrazol-3-one, 4-[(dimethylamino)methylene]-2,4-dihydro-2-(4-nitrophenyl)-5-phenyl-, (4Z)-
| Molecular Formula | C18H16N4O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 2.7912 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.12225 |
| Heavy Atoms | 25 |
| Complexity | 870.954 |
Chemical Identifiers
| CAS Number | 1164515-07-4 |
|---|---|
| SMILES | CN(C)/C=C\1/C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
BIM-0033412.P001 (CAS 1164515-07-4), with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol. IUPAC: (4Z)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-phenylpyrazol-3-one.
Chemical Property Profile of BIM-0033412.P001
Property Insights of BIM-0033412.P001
The XLogP value of 2.7912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0033412.P001. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0033412.P001. Following Lipinski's Rule of Five, BIM-0033412.P001 has 0 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-0033412.P001?
The CAS number of BIM-0033412.P001 is 1164515-07-4.
What is the molecular formula of BIM-0033412.P001?
The molecular formula of BIM-0033412.P001 is C18H16N4O3.
What is the molecular weight of BIM-0033412.P001?
The molecular weight of BIM-0033412.P001 is 336.12 g/mol.
Where can I buy BIM-0033412.P001?
You can request a quote for BIM-0033412.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0033412.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0033412.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.