F0682-0227
TL;DR: F0682-0227 (CAS 863453-09-2) is a chemical compound with molecular formula C19H21FN6OS and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: F0682-0227, 1-(azepan-1-yl)-2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone, 1-(azepan-1-yl)-2-({3-[(4-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)ethan-1-one, 1-(azepan-1-yl)-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
| Molecular Formula | C19H21FN6OS |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 2.9034 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.14816 |
| Heavy Atoms | 28 |
| Complexity | 952.71716 |
Chemical Identifiers
| CAS Number | 863453-09-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
F0682-0227 (CAS 863453-09-2), with molecular formula C19H21FN6OS and molecular weight 400.15 g/mol. IUPAC: 1-(azepan-1-yl)-2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of F0682-0227
Property Insights of F0682-0227
The XLogP value of 2.9034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-0227. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0227. Following Lipinski's Rule of Five, F0682-0227 has 0 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 F0682-0227?
The CAS number of F0682-0227 is 863453-09-2.
What is the molecular formula of F0682-0227?
The molecular formula of F0682-0227 is C19H21FN6OS.
What is the molecular weight of F0682-0227?
The molecular weight of F0682-0227 is 400.15 g/mol.
Where can I buy F0682-0227?
You can request a quote for F0682-0227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0227?
Yes, KEHONG BIO provides custom synthesis services for F0682-0227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.