F0682-1123
TL;DR: F0682-1123 (CAS 863460-68-8) is a chemical compound with molecular formula C19H22N6O2S and molecular weight 398.15 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-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: F0682-1123, 1-(azepan-1-yl)-2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one, 1-(azepan-1-yl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone, 1-(azepan-1-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
| Molecular Formula | C19H22N6O2S |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.7138 |
| Topological Polar Surface Area | 86.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1525 |
| Heavy Atoms | 28 |
| Complexity | 950.71716 |
Chemical Identifiers
| CAS Number | 863460-68-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)N4CCCCCC4)N=N2 |
Product Overview
F0682-1123 (CAS 863460-68-8), with molecular formula C19H22N6O2S and molecular weight 398.15 g/mol. IUPAC: 1-(azepan-1-yl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of F0682-1123
Property Insights of F0682-1123
The XLogP value of 2.7138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-1123. The TPSA of 86.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-1123. Following Lipinski's Rule of Five, F0682-1123 has 0 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 F0682-1123?
The CAS number of F0682-1123 is 863460-68-8.
What is the molecular formula of F0682-1123?
The molecular formula of F0682-1123 is C19H22N6O2S.
What is the molecular weight of F0682-1123?
The molecular weight of F0682-1123 is 398.15 g/mol.
Where can I buy F0682-1123?
You can request a quote for F0682-1123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-1123?
Yes, KEHONG BIO provides custom synthesis services for F0682-1123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.