F0682-0236
TL;DR: F0682-0236 (CAS 863453-18-3) is a chemical compound with molecular formula C19H15FN6OS and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-phenylacetamide
Also Known As: F0682-0236, 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-phenylacetamide, 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-phenylacetamide, 2-({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-phenylacetamide
| Molecular Formula | C19H15FN6OS |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 3.1395 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1012 |
| Heavy Atoms | 28 |
| Complexity | 1100.58 |
Chemical Identifiers
| CAS Number | 863453-18-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
F0682-0236 (CAS 863453-18-3), with molecular formula C19H15FN6OS and molecular weight 394.10 g/mol. IUPAC: 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-phenylacetamide.
Chemical Property Profile of F0682-0236
Property Insights of F0682-0236
The XLogP value of 3.1395 indicates that F0682-0236 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 F0682-0236. Following Lipinski's Rule of Five, F0682-0236 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 F0682-0236?
The CAS number of F0682-0236 is 863453-18-3.
What is the molecular formula of F0682-0236?
The molecular formula of F0682-0236 is C19H15FN6OS.
What is the molecular weight of F0682-0236?
The molecular weight of F0682-0236 is 394.10 g/mol.
Where can I buy F0682-0236?
You can request a quote for F0682-0236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0236?
Yes, KEHONG BIO provides custom synthesis services for F0682-0236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.