AB00080825-01
TL;DR: AB00080825-01 (CAS 353774-37-5) is a chemical compound with molecular formula C14H14N4O3 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(cyclopropyliminomethyl)-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: AB00080825-01, 4-[(cyclopropylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, (4Z)-4-[(cyclopropylamino)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, (E)-4-((cyclopropylamino)methylene)-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one, 4-[(cyclopropylamino)methylene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C14H14N4O3 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 1.96352 |
| Topological Polar Surface Area | 93.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.1066 |
| Heavy Atoms | 21 |
| Complexity | 766.5071 |
Chemical Identifiers
| CAS Number | 353774-37-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NC3CC3 |
Product Overview
AB00080825-01 (CAS 353774-37-5), with molecular formula C14H14N4O3 and molecular weight 286.11 g/mol. IUPAC: 4-(cyclopropyliminomethyl)-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of AB00080825-01
Property Insights of AB00080825-01
The XLogP value of 1.96352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00080825-01. The TPSA of 93.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00080825-01. Following Lipinski's Rule of Five, AB00080825-01 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 AB00080825-01?
The CAS number of AB00080825-01 is 353774-37-5.
What is the molecular formula of AB00080825-01?
The molecular formula of AB00080825-01 is C14H14N4O3.
What is the molecular weight of AB00080825-01?
The molecular weight of AB00080825-01 is 286.11 g/mol.
Where can I buy AB00080825-01?
You can request a quote for AB00080825-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00080825-01?
Yes, KEHONG BIO provides custom synthesis services for AB00080825-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.