AF-399/41048798
TL;DR: AF-399/41048798 (CAS 442572-93-2) is a chemical compound with molecular formula C29H30N6O and molecular weight 478.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: AF-399/41048798, 1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-isopentyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, (1E)-1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-3-methyl-2-(3-methylbutyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-2-isopentyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C29H30N6O |
|---|---|
| Molecular Weight | 478.25 g/mol |
| LogP | 5.79762 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.2481 |
| Heavy Atoms | 36 |
| Complexity | 1696.0039 |
Chemical Identifiers
| CAS Number | 442572-93-2 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C#N |
Product Overview
AF-399/41048798 (CAS 442572-93-2), with molecular formula C29H30N6O and molecular weight 478.25 g/mol. IUPAC: 1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of AF-399/41048798
Property Insights of AF-399/41048798
The XLogP value of 5.79762 indicates that AF-399/41048798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41048798. Following Lipinski's Rule of Five, AF-399/41048798 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41048798?
The CAS number of AF-399/41048798 is 442572-93-2.
What is the molecular formula of AF-399/41048798?
The molecular formula of AF-399/41048798 is C29H30N6O.
What is the molecular weight of AF-399/41048798?
The molecular weight of AF-399/41048798 is 478.25 g/mol.
Where can I buy AF-399/41048798?
You can request a quote for AF-399/41048798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41048798?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41048798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.