F3394-0488
TL;DR: F3394-0488 (CAS 671198-99-5) is a chemical compound with molecular formula C21H17ClN4O3S2 and molecular weight 472.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: F3394-0488, ETHYL 4-(4-CHLOROPHENYL)-2-(2-{[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLSULFANYL}ACETAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 4-(4-chlorophenyl)-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetyl]amino}thiophene-3-carboxylate, ethyl 2-{[(1,2,3a-triaza-3-indenylthio)methyl]carbonylamino}-4-(p-chlorophenyl)-3-thenoate
| Molecular Formula | C21H17ClN4O3S2 |
|---|---|
| Molecular Weight | 472.04 g/mol |
| LogP | 5.0187 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.04306 |
| Heavy Atoms | 31 |
| Complexity | 1237.1473 |
Chemical Identifiers
| CAS Number | 671198-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
F3394-0488 (CAS 671198-99-5), with molecular formula C21H17ClN4O3S2 and molecular weight 472.04 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of F3394-0488
Property Insights of F3394-0488
The XLogP value of 5.0187 indicates that F3394-0488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0488. Following Lipinski's Rule of Five, F3394-0488 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0488?
The CAS number of F3394-0488 is 671198-99-5.
What is the molecular formula of F3394-0488?
The molecular formula of F3394-0488 is C21H17ClN4O3S2.
What is the molecular weight of F3394-0488?
The molecular weight of F3394-0488 is 472.04 g/mol.
Where can I buy F3394-0488?
You can request a quote for F3394-0488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0488?
Yes, KEHONG BIO provides custom synthesis services for F3394-0488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.