F0631-0408
TL;DR: F0631-0408 (CAS 851970-05-3) is a chemical compound with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
Also Known As: F0631-0408, ethyl 4-(furan-2-yl(6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)piperazine-1-carboxylate, ethyl 4-[(furan-2-yl)({6-hydroxy-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl})methyl]piperazine-1-carboxylate, ethyl 4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
| Molecular Formula | C17H21N5O4S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 2.26132 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.13144 |
| Heavy Atoms | 27 |
| Complexity | 926.82556 |
Chemical Identifiers
| CAS Number | 851970-05-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(C2=CC=CO2)C3=C(N4C(=NC(=N4)C)S3)O |
Product Overview
F0631-0408 (CAS 851970-05-3), with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol. IUPAC: ethyl 4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of F0631-0408
Property Insights of F0631-0408
The XLogP value of 2.26132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0631-0408. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0408. Following Lipinski's Rule of Five, F0631-0408 has 1 hydrogen bond donor(s) and 8 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 F0631-0408?
The CAS number of F0631-0408 is 851970-05-3.
What is the molecular formula of F0631-0408?
The molecular formula of F0631-0408 is C17H21N5O4S.
What is the molecular weight of F0631-0408?
The molecular weight of F0631-0408 is 391.13 g/mol.
Where can I buy F0631-0408?
You can request a quote for F0631-0408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0408?
Yes, KEHONG BIO provides custom synthesis services for F0631-0408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.