AJ-292/40706410
TL;DR: AJ-292/40706410 (CAS 428836-24-2) is a chemical compound with molecular formula C21H29N5O3 and molecular weight 399.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: AJ-292/40706410, (4E)-5-methyl-2-(4-nitrophenyl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one, (4E)-5-methyl-2-(4-nitrophenyl)-4-[1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene]pyrazol-3-one, (E)-3-methyl-1-(4-nitrophenyl)-4-(1-((2,2,6,6-tetramethylpiperidin-4-yl)amino)ethylidene)-1H-pyrazol-5(4H)-one, 5-Methyl-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one
| Molecular Formula | C21H29N5O3 |
|---|---|
| Molecular Weight | 399.23 g/mol |
| LogP | 3.50042 |
| Topological Polar Surface Area | 105.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.22705 |
| Heavy Atoms | 29 |
| Complexity | 995.9278 |
Chemical Identifiers
| CAS Number | 428836-24-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=NC3CC(NC(C3)(C)C)(C)C)C |
Product Overview
AJ-292/40706410 (CAS 428836-24-2), with molecular formula C21H29N5O3 and molecular weight 399.23 g/mol. IUPAC: 5-methyl-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of AJ-292/40706410
Property Insights of AJ-292/40706410
The XLogP value of 3.50042 indicates that AJ-292/40706410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/40706410. Following Lipinski's Rule of Five, AJ-292/40706410 has 2 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 AJ-292/40706410?
The CAS number of AJ-292/40706410 is 428836-24-2.
What is the molecular formula of AJ-292/40706410?
The molecular formula of AJ-292/40706410 is C21H29N5O3.
What is the molecular weight of AJ-292/40706410?
The molecular weight of AJ-292/40706410 is 399.23 g/mol.
Where can I buy AJ-292/40706410?
You can request a quote for AJ-292/40706410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706410?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.