BAS 00278843
TL;DR: BAS 00278843 (CAS 330567-58-3) is a chemical compound with molecular formula C22H22Cl3N5O2S and molecular weight 525.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]benzamide
Also Known As: BAS 00278843, 3-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, 3-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]benzamide, N-[1-({[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))amino]thioxomethyl}amin o)-2,2,2-trichloroethyl](3-methylphenyl)carboxamide
| Molecular Formula | C22H22Cl3N5O2S |
|---|---|
| Molecular Weight | 525.06 g/mol |
| LogP | 4.20554 |
| Topological Polar Surface Area | 80.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.05597 |
| Heavy Atoms | 33 |
| Complexity | 1235.0637 |
Chemical Identifiers
| CAS Number | 330567-58-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
Product Overview
BAS 00278843 (CAS 330567-58-3), with molecular formula C22H22Cl3N5O2S and molecular weight 525.06 g/mol. IUPAC: 3-methyl-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of BAS 00278843
Property Insights of BAS 00278843
The XLogP value of 4.20554 indicates that BAS 00278843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00278843. Following Lipinski's Rule of Five, BAS 00278843 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00278843?
The CAS number of BAS 00278843 is 330567-58-3.
What is the molecular formula of BAS 00278843?
The molecular formula of BAS 00278843 is C22H22Cl3N5O2S.
What is the molecular weight of BAS 00278843?
The molecular weight of BAS 00278843 is 525.06 g/mol.
Where can I buy BAS 00278843?
You can request a quote for BAS 00278843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00278843?
Yes, KEHONG BIO provides custom synthesis services for BAS 00278843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.