F1081-0078
TL;DR: F1081-0078 (CAS 433328-99-5) is a chemical compound with molecular formula C21H22ClN3OS and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-5-(4-chlorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Also Known As: F1081-0078, 2-(1-adamantyl)-5-(4-chlorophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 2-adamantanyl-5-(4-chlorophenyl)-5H,6H-1,2,4-triazolo[5,1-b]1,3-thiazaperhydro in-7-one, 2-((3r,5r,7r)-adamantan-1-yl)-5-(4-chlorophenyl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 2-((3r,5r,7r)-adamantan-1-yl)-5-(4-chlorophenyl)-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7(6H)-one
| Molecular Formula | C21H22ClN3OS |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 5.2766 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.11722 |
| Heavy Atoms | 27 |
| Complexity | 886.72375 |
Chemical Identifiers
| CAS Number | 433328-99-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NN5C(=O)CC(SC5=N4)C6=CC=C(C=C6)Cl |
Product Overview
F1081-0078 (CAS 433328-99-5), with molecular formula C21H22ClN3OS and molecular weight 399.12 g/mol. IUPAC: 2-(1-adamantyl)-5-(4-chlorophenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
Chemical Property Profile of F1081-0078
Property Insights of F1081-0078
The XLogP value of 5.2766 indicates that F1081-0078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, F1081-0078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1081-0078 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1081-0078?
The CAS number of F1081-0078 is 433328-99-5.
What is the molecular formula of F1081-0078?
The molecular formula of F1081-0078 is C21H22ClN3OS.
What is the molecular weight of F1081-0078?
The molecular weight of F1081-0078 is 399.12 g/mol.
Where can I buy F1081-0078?
You can request a quote for F1081-0078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1081-0078?
Yes, KEHONG BIO provides custom synthesis services for F1081-0078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.