F0682-1125
TL;DR: F0682-1125 (CAS 863500-11-2) 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.
2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: F0682-1125, 2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one, 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
| Molecular Formula | C19H22N6O2S |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.5697 |
| 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 | 966.21924 |
Chemical Identifiers
| CAS Number | 863500-11-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC=NC3=C2N=NN3C4=CC=C(C=C4)OC |
Product Overview
F0682-1125 (CAS 863500-11-2), with molecular formula C19H22N6O2S and molecular weight 398.15 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of F0682-1125
Property Insights of F0682-1125
The XLogP value of 2.5697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-1125. The TPSA of 86.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-1125. Following Lipinski's Rule of Five, F0682-1125 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 F0682-1125?
The CAS number of F0682-1125 is 863500-11-2.
What is the molecular formula of F0682-1125?
The molecular formula of F0682-1125 is C19H22N6O2S.
What is the molecular weight of F0682-1125?
The molecular weight of F0682-1125 is 398.15 g/mol.
Where can I buy F0682-1125?
You can request a quote for F0682-1125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-1125?
Yes, KEHONG BIO provides custom synthesis services for F0682-1125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.