BAS 00278860
TL;DR: BAS 00278860 (CAS 325479-18-3) is a chemical compound with molecular formula C22H22Cl3N5O2S and molecular weight 525.05597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]benzamide
Also Known As: BAS 00278860, 2-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]benzamide, 2-methyl-N-[2,2,2-trichloro-1-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbothioyl}amino)ethyl]benzamide, 2-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide, 2-methyl-N-(2,2,2-trichloro-1-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thioureido)ethyl)benzamide
Technical Specifications
| Molecular Formula | C22H22Cl3N5O2S |
| Molecular Weight | 525.05597 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.05597 Da |
| Heavy Atoms | 33 |
| Complexity | 797.0 |
| SMILES | CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
| InChIKey | HYZRTRMXZAUDLO-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00278860
Property Insights of BAS 00278860
The XLogP value of 5.2 indicates that BAS 00278860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00278860. Following Lipinski's Rule of Five, BAS 00278860 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00278860?
The CAS number of BAS 00278860 is 325479-18-3.
What is the molecular formula of BAS 00278860?
The molecular formula of BAS 00278860 is C22H22Cl3N5O2S.
What is the molecular weight of BAS 00278860?
The molecular weight of BAS 00278860 is 525.05597 g/mol.
Where can I buy BAS 00278860?
You can request a quote for BAS 00278860 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00278860?
Yes, CoreyChem provides custom synthesis services for BAS 00278860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.