F0631-0445
TL;DR: F0631-0445 (CAS 851970-33-7) is a chemical compound with molecular formula C19H18N4OS2 and molecular weight 382.09 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(thiophen-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0445, 5-((3,4-dihydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)(thiophen-2-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[3,4-dihydro-1H-isoquinolin-2-yl(thiophen-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C19H18N4OS2 |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 4.01402 |
| Topological Polar Surface Area | 53.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.0922 |
| Heavy Atoms | 26 |
| Complexity | 1066.7937 |
Chemical Identifiers
| CAS Number | 851970-33-7 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCC5=CC=CC=C5C4)O |
Product Overview
F0631-0445 (CAS 851970-33-7), with molecular formula C19H18N4OS2 and molecular weight 382.09 g/mol. IUPAC: 5-[3,4-dihydro-1H-isoquinolin-2-yl(thiophen-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0445
Property Insights of F0631-0445
The XLogP value of 4.01402 indicates that F0631-0445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.66 Ų, F0631-0445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0445 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 F0631-0445?
The CAS number of F0631-0445 is 851970-33-7.
What is the molecular formula of F0631-0445?
The molecular formula of F0631-0445 is C19H18N4OS2.
What is the molecular weight of F0631-0445?
The molecular weight of F0631-0445 is 382.09 g/mol.
Where can I buy F0631-0445?
You can request a quote for F0631-0445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0445?
Yes, KEHONG BIO provides custom synthesis services for F0631-0445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.