AJ-030/12105547
TL;DR: AJ-030/12105547 (CAS 353281-71-7) is a chemical compound with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(4-chlorophenyl)-4-[1-(2-phenylethylamino)butan-2-ylidene]-1,3-oxazol-5-one
Also Known As: AJ-030/12105547, 2-(4-chlorophenyl)-4-(1-{[(2-phenylethyl)amino]methyl}propylidene)-1,3-oxazol-5(4H)-one, (4Z)-2-(4-chlorophenyl)-4-[1-(2-phenylethylamino)butan-2-ylidene]-1,3-oxazol-5-one, (4Z)-2-(4-chlorophenyl)-4-[1-(phenethylamino)butan-2-ylidene]-1,3-oxazol-5-one
| Molecular Formula | C21H21ClN2O2 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.1398 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.12915 |
| Heavy Atoms | 26 |
| Complexity | 826.8494 |
Chemical Identifiers
| CAS Number | 353281-71-7 |
|---|---|
| SMILES | CC/C(=C/1\C(=O)OC(=N1)C2=CC=C(C=C2)Cl)/CNCCC3=CC=CC=C3 |
Product Overview
AJ-030/12105547 (CAS 353281-71-7), with molecular formula C21H21ClN2O2 and molecular weight 368.13 g/mol. IUPAC: (4Z)-2-(4-chlorophenyl)-4-[1-(2-phenylethylamino)butan-2-ylidene]-1,3-oxazol-5-one.
Chemical Property Profile of AJ-030/12105547
Property Insights of AJ-030/12105547
The XLogP value of 4.1398 indicates that AJ-030/12105547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, AJ-030/12105547 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-030/12105547 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 AJ-030/12105547?
The CAS number of AJ-030/12105547 is 353281-71-7.
What is the molecular formula of AJ-030/12105547?
The molecular formula of AJ-030/12105547 is C21H21ClN2O2.
What is the molecular weight of AJ-030/12105547?
The molecular weight of AJ-030/12105547 is 368.13 g/mol.
Where can I buy AJ-030/12105547?
You can request a quote for AJ-030/12105547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-030/12105547?
Yes, KEHONG BIO provides custom synthesis services for AJ-030/12105547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.