F0631-0055
TL;DR: F0631-0055 (CAS 851809-40-0) is a chemical compound with molecular formula C22H22N4OS and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0055, 2-methyl-5-[(4-methylphenyl)(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((3,4-dihydroisoquinolin-2(1H)-yl)(p-tolyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C22H22N4OS |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 4.26094 |
| Topological Polar Surface Area | 53.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.15143 |
| Heavy Atoms | 28 |
| Complexity | 1145.2758 |
Chemical Identifiers
| CAS Number | 851809-40-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCC5=CC=CC=C5C4 |
Product Overview
F0631-0055 (CAS 851809-40-0), with molecular formula C22H22N4OS and molecular weight 390.15 g/mol. IUPAC: 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0055
Property Insights of F0631-0055
The XLogP value of 4.26094 indicates that F0631-0055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.66 Ų, F0631-0055 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0055 has 1 hydrogen bond donor(s) and 5 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 F0631-0055?
The CAS number of F0631-0055 is 851809-40-0.
What is the molecular formula of F0631-0055?
The molecular formula of F0631-0055 is C22H22N4OS.
What is the molecular weight of F0631-0055?
The molecular weight of F0631-0055 is 390.15 g/mol.
Where can I buy F0631-0055?
You can request a quote for F0631-0055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0055?
Yes, KEHONG BIO provides custom synthesis services for F0631-0055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.