F0631-0047
TL;DR: F0631-0047 (CAS 851809-32-0) is a chemical compound with molecular formula C30H31N5OS and molecular weight 509.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0047, 5-((4-benzhydrylpiperazin-1-yl)(p-tolyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-{[4-(diphenylmethyl)piperazin-1-yl](4-methylphenyl)methyl}-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C30H31N5OS |
|---|---|
| Molecular Weight | 509.22 g/mol |
| LogP | 5.60984 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.22495 |
| Heavy Atoms | 37 |
| Complexity | 1432.0049 |
Chemical Identifiers
| CAS Number | 851809-32-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
F0631-0047 (CAS 851809-32-0), with molecular formula C30H31N5OS and molecular weight 509.22 g/mol. IUPAC: 5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0047
Property Insights of F0631-0047
The XLogP value of 5.60984 indicates that F0631-0047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, F0631-0047 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0047 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0631-0047?
The CAS number of F0631-0047 is 851809-32-0.
What is the molecular formula of F0631-0047?
The molecular formula of F0631-0047 is C30H31N5OS.
What is the molecular weight of F0631-0047?
The molecular weight of F0631-0047 is 509.22 g/mol.
Where can I buy F0631-0047?
You can request a quote for F0631-0047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0047?
Yes, KEHONG BIO provides custom synthesis services for F0631-0047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.