1K-901
TL;DR: 1K-901 (CAS 1007073-49-5) is a chemical compound with molecular formula C21H14Cl3N5OS2 and molecular weight 520.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]
| Molecular Formula | C21H14Cl3N5OS2 |
|---|---|
| Molecular Weight | 520.97 g/mol |
| LogP | 6.78034 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.9705 |
| Heavy Atoms | 32 |
| Complexity | 1524.467 |
Chemical Identifiers
| CAS Number | 1007073-49-5 |
|---|---|
| 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 |
Product Overview
1K-901 (CAS 1007073-49-5), with molecular formula C21H14Cl3N5OS2 and molecular weight 520.97 g/mol. IUPAC: 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.
Chemical Property Profile of 1K-901
Property Insights of 1K-901
The XLogP value of 6.78034 indicates that 1K-901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 520.97 g/mol.
Where can I buy 1K-901?
You can request a quote for 1K-901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1K-901?
Yes, KEHONG BIO provides custom synthesis services for 1K-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.