AJ-292/14241011
TL;DR: AJ-292/14241011 (CAS 328280-12-2) is a chemical compound with molecular formula C20H22F3N5O2S and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: AJ-292/14241011, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3-morpholinopropyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 1-benzothiazol-2-yl-4-{[(3-morpholin-4-ylpropyl)amino]ethylidene}-3-(trifluoro methyl)-1,2-diazolin-5-one, 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(4-morpholinyl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-BENZOTHIAZOL-2-YL)-4-[(3-MORPHOLINOPROPYL)ETHANIMIDOYL]-5-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C20H22F3N5O2S |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 3.3254 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.14462 |
| Heavy Atoms | 31 |
| Complexity | 1108.833 |
Chemical Identifiers
| CAS Number | 328280-12-2 |
|---|---|
| SMILES | CC(=NCCCN1CCOCC1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
AJ-292/14241011 (CAS 328280-12-2), with molecular formula C20H22F3N5O2S and molecular weight 453.14 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of AJ-292/14241011
Property Insights of AJ-292/14241011
The XLogP value of 3.3254 indicates that AJ-292/14241011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/14241011. Following Lipinski's Rule of Five, AJ-292/14241011 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-292/14241011?
The CAS number of AJ-292/14241011 is 328280-12-2.
What is the molecular formula of AJ-292/14241011?
The molecular formula of AJ-292/14241011 is C20H22F3N5O2S.
What is the molecular weight of AJ-292/14241011?
The molecular weight of AJ-292/14241011 is 453.14 g/mol.
Where can I buy AJ-292/14241011?
You can request a quote for AJ-292/14241011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/14241011?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/14241011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.