F0631-0093
TL;DR: F0631-0093 (CAS 851809-60-4) is a chemical compound with molecular formula C18H21BrN4OS and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)-(4-methylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0093, 5-((4-bromophenyl)(4-methylpiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-bromophenyl)(4-methylpiperidin-1-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[(4-bromophenyl)-(4-methylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C18H21BrN4OS |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 4.38862 |
| Topological Polar Surface Area | 53.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.06195 |
| Heavy Atoms | 25 |
| Complexity | 880.50336 |
Chemical Identifiers
| CAS Number | 851809-60-4 |
|---|---|
| SMILES | CC1CCN(CC1)C(C2=CC=C(C=C2)Br)C3=C(N4C(=NC(=N4)C)S3)O |
Product Overview
F0631-0093 (CAS 851809-60-4), with molecular formula C18H21BrN4OS and molecular weight 420.06 g/mol. IUPAC: 5-[(4-bromophenyl)-(4-methylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0093
Property Insights of F0631-0093
The XLogP value of 4.38862 indicates that F0631-0093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.66 Ų, F0631-0093 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0631-0093 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 F0631-0093?
The CAS number of F0631-0093 is 851809-60-4.
What is the molecular formula of F0631-0093?
The molecular formula of F0631-0093 is C18H21BrN4OS.
What is the molecular weight of F0631-0093?
The molecular weight of F0631-0093 is 420.06 g/mol.
Where can I buy F0631-0093?
You can request a quote for F0631-0093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0093?
Yes, KEHONG BIO provides custom synthesis services for F0631-0093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.