F0631-0438
TL;DR: F0631-0438 (CAS 851970-26-8) is a chemical compound with molecular formula C17H21N5O3S2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazine-1-carboxylate
Also Known As: F0631-0438, ethyl 4-((6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)(thiophen-2-yl)methyl)piperazine-1-carboxylate, ethyl 4-({6-hydroxy-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}(thiophen-2-yl)methyl)piperazine-1-carboxylate, ethyl 4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazine-1-carboxylate
| Molecular Formula | C17H21N5O3S2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 2.72982 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.10858 |
| Heavy Atoms | 27 |
| Complexity | 928.0707 |
Chemical Identifiers
| CAS Number | 851970-26-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(C2=CC=CS2)C3=C(N4C(=NC(=N4)C)S3)O |
Product Overview
F0631-0438 (CAS 851970-26-8), with molecular formula C17H21N5O3S2 and molecular weight 407.11 g/mol. IUPAC: ethyl 4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazine-1-carboxylate.
Chemical Property Profile of F0631-0438
Property Insights of F0631-0438
The XLogP value of 2.72982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0631-0438. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0438. Following Lipinski's Rule of Five, F0631-0438 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 F0631-0438?
The CAS number of F0631-0438 is 851970-26-8.
What is the molecular formula of F0631-0438?
The molecular formula of F0631-0438 is C17H21N5O3S2.
What is the molecular weight of F0631-0438?
The molecular weight of F0631-0438 is 407.11 g/mol.
Where can I buy F0631-0438?
You can request a quote for F0631-0438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0438?
Yes, KEHONG BIO provides custom synthesis services for F0631-0438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.