F0682-0005
TL;DR: F0682-0005 (CAS 863452-66-8) is a chemical compound with molecular formula C19H22N6OS and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: F0682-0005, 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
| Molecular Formula | C19H22N6OS |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 2.6202 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1576 |
| Heavy Atoms | 27 |
| Complexity | 920.3544 |
Chemical Identifiers
| CAS Number | 863452-66-8 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 |
Product Overview
F0682-0005 (CAS 863452-66-8), with molecular formula C19H22N6OS and molecular weight 382.16 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of F0682-0005
Property Insights of F0682-0005
The XLogP value of 2.6202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0682-0005. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0005. Following Lipinski's Rule of Five, F0682-0005 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 F0682-0005?
The CAS number of F0682-0005 is 863452-66-8.
What is the molecular formula of F0682-0005?
The molecular formula of F0682-0005 is C19H22N6OS.
What is the molecular weight of F0682-0005?
The molecular weight of F0682-0005 is 382.16 g/mol.
Where can I buy F0682-0005?
You can request a quote for F0682-0005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0005?
Yes, KEHONG BIO provides custom synthesis services for F0682-0005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.