AJ-030/12105591
TL;DR: AJ-030/12105591 (CAS 353282-57-2) is a chemical compound with molecular formula C24H34N4O5 and molecular weight 458.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-6-hydroxy-5-[(4-methyl-3-nitrophenyl)iminomethyl]-1-octylpyrimidine-2,4-dione
Also Known As: AJ-030/12105591, 1-butyl-5-({3-nitro-4-methylanilino}methylene)-3-octyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-butyl-5-[(4-methyl-3-nitroanilino)methylidene]-3-octyl-1,3-diazinane-2,4,6-trione, 3-butyl-6-hydroxy-5-[(4-methyl-3-nitrophenyl)iminomethyl]-1-octylpyrimidine-2,4-dione
| Molecular Formula | C24H34N4O5 |
|---|---|
| Molecular Weight | 458.25 g/mol |
| LogP | 4.84342 |
| Topological Polar Surface Area | 119.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 458.25293 |
| Heavy Atoms | 33 |
| Complexity | 1101.2542 |
Chemical Identifiers
| CAS Number | 353282-57-2 |
|---|---|
| SMILES | CCCCCCCCN1C(=C(C(=O)N(C1=O)CCCC)C=NC2=CC(=C(C=C2)C)[N+](=O)[O-])O |
Product Overview
AJ-030/12105591 (CAS 353282-57-2), with molecular formula C24H34N4O5 and molecular weight 458.25 g/mol. IUPAC: 3-butyl-6-hydroxy-5-[(4-methyl-3-nitrophenyl)iminomethyl]-1-octylpyrimidine-2,4-dione.
Chemical Property Profile of AJ-030/12105591
Property Insights of AJ-030/12105591
The XLogP value of 4.84342 indicates that AJ-030/12105591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-030/12105591. Following Lipinski's Rule of Five, AJ-030/12105591 has 1 hydrogen bond donor(s) and 6 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-030/12105591?
The CAS number of AJ-030/12105591 is 353282-57-2.
What is the molecular formula of AJ-030/12105591?
The molecular formula of AJ-030/12105591 is C24H34N4O5.
What is the molecular weight of AJ-030/12105591?
The molecular weight of AJ-030/12105591 is 458.25 g/mol.
Where can I buy AJ-030/12105591?
You can request a quote for AJ-030/12105591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-030/12105591?
Yes, KEHONG BIO provides custom synthesis services for AJ-030/12105591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.