F3394-0781
TL;DR: F3394-0781 (CAS 690962-00-6) is a chemical compound with molecular formula C17H16FN5O3S2 and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Also Known As: F3394-0781, ETHYL 2-{2-[(5-AMINO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE, ethyl 2-(2-((5-amino-1H-1,2,4-triazol-3-yl)thio)acetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate, ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate, ethyl 2-{[(5-amino-1H-1,2,4-triazol-3-ylthio)methyl]carbonylamino}-4-(p-fluorophenyl)-3-thenoate
| Molecular Formula | C17H16FN5O3S2 |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 3.162 |
| Topological Polar Surface Area | 122.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.06787 |
| Heavy Atoms | 28 |
| Complexity | 987.10175 |
Chemical Identifiers
| CAS Number | 690962-00-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CSC3=NNC(=N3)N |
Product Overview
F3394-0781 (CAS 690962-00-6), with molecular formula C17H16FN5O3S2 and molecular weight 421.07 g/mol. IUPAC: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of F3394-0781
Property Insights of F3394-0781
The XLogP value of 3.162 indicates that F3394-0781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.99 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0781. Following Lipinski's Rule of Five, F3394-0781 has 3 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 F3394-0781?
The CAS number of F3394-0781 is 690962-00-6.
What is the molecular formula of F3394-0781?
The molecular formula of F3394-0781 is C17H16FN5O3S2.
What is the molecular weight of F3394-0781?
The molecular weight of F3394-0781 is 421.07 g/mol.
Where can I buy F3394-0781?
You can request a quote for F3394-0781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0781?
Yes, KEHONG BIO provides custom synthesis services for F3394-0781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.