AE-848/13197008
TL;DR: AE-848/13197008 (CAS 351987-22-9) is a chemical compound with molecular formula C12H11ClF3N3OS and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: AE-848/13197008, 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide, 2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide, 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(thien-2-ylmethyl)acetamide, 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
| Molecular Formula | C12H11ClF3N3OS |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.02634 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 351987-22-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NCC2=CC=CS2)C(F)(F)F)Cl |
| InChIKey | KLZLGKVOZLGACU-UHFFFAOYSA-N |
Product Overview
AE-848/13197008 (CAS 351987-22-9), with molecular formula C12H11ClF3N3OS and molecular weight 337.03 g/mol. IUPAC: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
Chemical Property Profile of AE-848/13197008
Property Insights of AE-848/13197008
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/13197008. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/13197008. Following Lipinski's Rule of Five, AE-848/13197008 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 AE-848/13197008?
The CAS number of AE-848/13197008 is 351987-22-9.
What is the molecular formula of AE-848/13197008?
The molecular formula of AE-848/13197008 is C12H11ClF3N3OS.
What is the molecular weight of AE-848/13197008?
The molecular weight of AE-848/13197008 is 337.03 g/mol.
Where can I buy AE-848/13197008?
You can request a quote for AE-848/13197008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/13197008?
Yes, KEHONG BIO provides custom synthesis services for AE-848/13197008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.