A2922/0123049
TL;DR: A2922/0123049 (CAS 516455-15-5) is a chemical compound with molecular formula C22H16ClF3N4O3S and molecular weight 508.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-[2-chloro-5-(trifluoromethyl)phenyl]-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: A2922/0123049, (E)-methyl 2-(1-(benzo[d]thiazol-2-yl)-4-(1-((2-chloro-5-(trifluoromethyl)phenyl)amino)ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl [(4E)-1-(1,3-benzothiazol-2-yl)-4-(1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate, METHYL 2-[(4Z)-1-(1,3-BENZOTHIAZOL-2-YL)-4-(1-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}ETHYLIDENE)-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ACETATE, methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]ethylidene]-5-oxopyrazol-3-yl]acetate
| Molecular Formula | C22H16ClF3N4O3S |
|---|---|
| Molecular Weight | 508.06 g/mol |
| LogP | 5.3037 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.05838 |
| Heavy Atoms | 34 |
| Complexity | 1453.8054 |
Chemical Identifiers
| CAS Number | 516455-15-5 |
|---|---|
| SMILES | CC(=NC1=C(C=CC(=C1)C(F)(F)F)Cl)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC |
Product Overview
A2922/0123049 (CAS 516455-15-5), with molecular formula C22H16ClF3N4O3S and molecular weight 508.06 g/mol. IUPAC: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-[2-chloro-5-(trifluoromethyl)phenyl]-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of A2922/0123049
Property Insights of A2922/0123049
The XLogP value of 5.3037 indicates that A2922/0123049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A2922/0123049. Following Lipinski's Rule of Five, A2922/0123049 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2922/0123049?
The CAS number of A2922/0123049 is 516455-15-5.
What is the molecular formula of A2922/0123049?
The molecular formula of A2922/0123049 is C22H16ClF3N4O3S.
What is the molecular weight of A2922/0123049?
The molecular weight of A2922/0123049 is 508.06 g/mol.
Where can I buy A2922/0123049?
You can request a quote for A2922/0123049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2922/0123049?
Yes, KEHONG BIO provides custom synthesis services for A2922/0123049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.