1K-901
TL;DR: 1K-901 (CAS 1007073-49-5) is a chemical compound with molecular formula C21H14Cl3N5OS2 and molecular weight 520.9705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one
Also Known As: 1K-901, [4,5'-Bi-1H-pyrazol]-5-ol, 1-[4-(3-chloro-2-thienyl)-2-thiazolyl]-1'-(2,4-dichlorophenyl)-3,3'-dimethyl-, 2'-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)-5,5'-dimethyl-2H,2'H-[3,4'-bipyrazole]-3'-ol, 2-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one, Bi-4-{1-[4-(3-(chloro-2-thienyl)-1,3-thiazol-2-yl]-3-methyl-1H-5-pyrazololo}-5'-[(2,4-dichlorophenyl)-3-methyl-1H-5-pyrazole]
Technical Specifications
| Molecular Formula | C21H14Cl3N5OS2 |
| Molecular Weight | 520.9705 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.9705 Da |
| Heavy Atoms | 32 |
| Complexity | 776.0 |
| SMILES | CC1=NN(C(=C1)C2=C(NN(C2=O)C3=NC(=CS3)C4=C(C=CS4)Cl)C)C5=C(C=C(C=C5)Cl)Cl |
| InChIKey | BZESIPPSUTWURN-UHFFFAOYSA-N |
Chemical Property Profile of 1K-901
Property Insights of 1K-901
The XLogP value of 6.5 indicates that 1K-901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1K-901. Following Lipinski's Rule of Five, 1K-901 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1K-901?
The CAS number of 1K-901 is 1007073-49-5.
What is the molecular formula of 1K-901?
The molecular formula of 1K-901 is C21H14Cl3N5OS2.
What is the molecular weight of 1K-901?
The molecular weight of 1K-901 is 520.9705 g/mol.
Where can I buy 1K-901?
You can request a quote for 1K-901 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1K-901?
Yes, CoreyChem provides custom synthesis services for 1K-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.