F0682-0021
TL;DR: F0682-0021 (CAS 863452-77-1) is a chemical compound with molecular formula C22H22N6OS and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: F0682-0021, 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-mesitylacetamide, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide, 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C22H22N6OS |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.92566 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1576 |
| Heavy Atoms | 30 |
| Complexity | 1181.96 |
Chemical Identifiers
| CAS Number | 863452-77-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4)C |
Product Overview
F0682-0021 (CAS 863452-77-1), with molecular formula C22H22N6OS and molecular weight 418.16 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of F0682-0021
Property Insights of F0682-0021
The XLogP value of 3.92566 indicates that F0682-0021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0021. Following Lipinski's Rule of Five, F0682-0021 has 1 hydrogen bond donor(s) and 6 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 F0682-0021?
The CAS number of F0682-0021 is 863452-77-1.
What is the molecular formula of F0682-0021?
The molecular formula of F0682-0021 is C22H22N6OS.
What is the molecular weight of F0682-0021?
The molecular weight of F0682-0021 is 418.16 g/mol.
Where can I buy F0682-0021?
You can request a quote for F0682-0021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0021?
Yes, KEHONG BIO provides custom synthesis services for F0682-0021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.