AJ-030/12105278
TL;DR: AJ-030/12105278 (CAS 353278-55-4) is a chemical compound with molecular formula C23H22Cl3N3O3 and molecular weight 493.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-hydroxy-3-(2-phenylethyl)-5-[(2,4,5-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
Also Known As: AJ-030/12105278, 1-butyl-3-(2-phenylethyl)-5-[(2,4,5-trichloroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-butyl-3-phenethyl-5-[(2,4,5-trichloroanilino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-butyl-3-phenethyl-5-[(2,4,5-trichloroanilino)methylidene]-1,3-diazinane-2,4,6-trione, 1-butyl-6-hydroxy-3-(2-phenylethyl)-5-[(2,4,5-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
| Molecular Formula | C23H22Cl3N3O3 |
|---|---|
| Molecular Weight | 493.07 g/mol |
| LogP | 5.4692 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.07266 |
| Heavy Atoms | 32 |
| Complexity | 1251.3121 |
Chemical Identifiers
| CAS Number | 353278-55-4 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)N(C1=O)CCC2=CC=CC=C2)C=NC3=CC(=C(C=C3Cl)Cl)Cl)O |
Product Overview
AJ-030/12105278 (CAS 353278-55-4), with molecular formula C23H22Cl3N3O3 and molecular weight 493.07 g/mol. IUPAC: 1-butyl-6-hydroxy-3-(2-phenylethyl)-5-[(2,4,5-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of AJ-030/12105278
Property Insights of AJ-030/12105278
The XLogP value of 5.4692 indicates that AJ-030/12105278 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-030/12105278. Following Lipinski's Rule of Five, AJ-030/12105278 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 AJ-030/12105278?
The CAS number of AJ-030/12105278 is 353278-55-4.
What is the molecular formula of AJ-030/12105278?
The molecular formula of AJ-030/12105278 is C23H22Cl3N3O3.
What is the molecular weight of AJ-030/12105278?
The molecular weight of AJ-030/12105278 is 493.07 g/mol.
Where can I buy AJ-030/12105278?
You can request a quote for AJ-030/12105278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-030/12105278?
Yes, KEHONG BIO provides custom synthesis services for AJ-030/12105278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.