ChemDiv3_011286
TL;DR: ChemDiv3_011286 (CAS 863500-50-9) is a chemical compound with molecular formula C20H15F3N6O2S and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv3_011286, IDI1_028844, BRD-K22151144-001-01-5, F0682-1165, 2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H15F3N6O2S |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 3.9687 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.09293 |
| Heavy Atoms | 32 |
| Complexity | 1260.4176 |
Chemical Identifiers
| CAS Number | 863500-50-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)N=N2 |
Product Overview
ChemDiv3_011286 (CAS 863500-50-9), with molecular formula C20H15F3N6O2S and molecular weight 460.09 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv3_011286
Property Insights of ChemDiv3_011286
The XLogP value of 3.9687 indicates that ChemDiv3_011286 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011286. Following Lipinski's Rule of Five, ChemDiv3_011286 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_011286?
The CAS number of ChemDiv3_011286 is 863500-50-9.
What is the molecular formula of ChemDiv3_011286?
The molecular formula of ChemDiv3_011286 is C20H15F3N6O2S.
What is the molecular weight of ChemDiv3_011286?
The molecular weight of ChemDiv3_011286 is 460.09 g/mol.
Where can I buy ChemDiv3_011286?
You can request a quote for ChemDiv3_011286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011286?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.