F0631-0108
TL;DR: F0631-0108 (CAS 851809-73-9) is a chemical compound with molecular formula C19H22BrN5O3S and molecular weight 479.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-bromophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
Also Known As: F0631-0108, ethyl 4-((4-bromophenyl)(6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)piperazine-1-carboxylate, ethyl 4-[(4-bromophenyl)({6-hydroxy-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl})methyl]piperazine-1-carboxylate, ethyl 4-[(4-bromophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
| Molecular Formula | C19H22BrN5O3S |
|---|---|
| Molecular Weight | 479.06 g/mol |
| LogP | 3.43082 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.06268 |
| Heavy Atoms | 29 |
| Complexity | 1010.94836 |
Chemical Identifiers
| CAS Number | 851809-73-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)Br)C3=C(N4C(=NC(=N4)C)S3)O |
Product Overview
F0631-0108 (CAS 851809-73-9), with molecular formula C19H22BrN5O3S and molecular weight 479.06 g/mol. IUPAC: ethyl 4-[(4-bromophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of F0631-0108
Property Insights of F0631-0108
The XLogP value of 3.43082 indicates that F0631-0108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0108. Following Lipinski's Rule of Five, F0631-0108 has 1 hydrogen bond donor(s) and 7 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 F0631-0108?
The CAS number of F0631-0108 is 851809-73-9.
What is the molecular formula of F0631-0108?
The molecular formula of F0631-0108 is C19H22BrN5O3S.
What is the molecular weight of F0631-0108?
The molecular weight of F0631-0108 is 479.06 g/mol.
Where can I buy F0631-0108?
You can request a quote for F0631-0108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0108?
Yes, KEHONG BIO provides custom synthesis services for F0631-0108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.