F0682-0122
TL;DR: F0682-0122 (CAS 941956-01-0) is a chemical compound with molecular formula C22H20N6OS and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: F0682-0122, 1-(2,3-dihydro-1H-indol-1-yl)-2-({3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)ethan-1-one, 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone, 1-(indolin-1-yl)-2-((3-(4-methylbenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
| Molecular Formula | C22H20N6OS |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.25942 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.14194 |
| Heavy Atoms | 30 |
| Complexity | 1220.0201 |
Chemical Identifiers
| CAS Number | 941956-01-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SCC(=O)N4CCC5=CC=CC=C54)N=N2 |
Product Overview
F0682-0122 (CAS 941956-01-0), with molecular formula C22H20N6OS and molecular weight 416.14 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of F0682-0122
Property Insights of F0682-0122
The XLogP value of 3.25942 indicates that F0682-0122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0122. Following Lipinski's Rule of Five, F0682-0122 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 F0682-0122?
The CAS number of F0682-0122 is 941956-01-0.
What is the molecular formula of F0682-0122?
The molecular formula of F0682-0122 is C22H20N6OS.
What is the molecular weight of F0682-0122?
The molecular weight of F0682-0122 is 416.14 g/mol.
Where can I buy F0682-0122?
You can request a quote for F0682-0122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0122?
Yes, KEHONG BIO provides custom synthesis services for F0682-0122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.