9X-0818
TL;DR: 9X-0818 (CAS 956754-74-8) is a chemical compound with molecular formula C20H19F3N6S2 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
Also Known As: 9X-0818, 3-[(2,5-dimethylbenzyl)sulfanyl]-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole, 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole, 4-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
| Molecular Formula | C20H19F3N6S2 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 5.36066 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.10648 |
| Heavy Atoms | 31 |
| Complexity | 1238.2477 |
Chemical Identifiers
| CAS Number | 956754-74-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=CSC(=N3)N4C(=CC(=N4)C)C(F)(F)F |
Product Overview
9X-0818 (CAS 956754-74-8), with molecular formula C20H19F3N6S2 and molecular weight 464.11 g/mol. IUPAC: 4-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
Chemical Property Profile of 9X-0818
Property Insights of 9X-0818
The XLogP value of 5.36066 indicates that 9X-0818 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 9X-0818. Following Lipinski's Rule of Five, 9X-0818 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9X-0818?
The CAS number of 9X-0818 is 956754-74-8.
What is the molecular formula of 9X-0818?
The molecular formula of 9X-0818 is C20H19F3N6S2.
What is the molecular weight of 9X-0818?
The molecular weight of 9X-0818 is 464.11 g/mol.
Where can I buy 9X-0818?
You can request a quote for 9X-0818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9X-0818?
Yes, KEHONG BIO provides custom synthesis services for 9X-0818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.