F0682-0027
TL;DR: F0682-0027 (CAS 863452-79-3) is a chemical compound with molecular formula C19H15ClN6OS and molecular weight 410.07 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-N-(3-chlorophenyl)acetamide
Also Known As: F0682-0027, 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(3-chlorophenyl)acetamide, 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(3-chlorophenyl)acetamide, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(3-chlorophenyl)acetamide
| Molecular Formula | C19H15ClN6OS |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.6538 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.07166 |
| Heavy Atoms | 28 |
| Complexity | 1117.83 |
Chemical Identifiers
| CAS Number | 863452-79-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)Cl)N=N2 |
Product Overview
F0682-0027 (CAS 863452-79-3), with molecular formula C19H15ClN6OS and molecular weight 410.07 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of F0682-0027
Property Insights of F0682-0027
The XLogP value of 3.6538 indicates that F0682-0027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0682-0027. Following Lipinski's Rule of Five, F0682-0027 has 1 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 F0682-0027?
The CAS number of F0682-0027 is 863452-79-3.
What is the molecular formula of F0682-0027?
The molecular formula of F0682-0027 is C19H15ClN6OS.
What is the molecular weight of F0682-0027?
The molecular weight of F0682-0027 is 410.07 g/mol.
Where can I buy F0682-0027?
You can request a quote for F0682-0027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0682-0027?
Yes, KEHONG BIO provides custom synthesis services for F0682-0027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.