F3394-0780
TL;DR: F3394-0780 (CAS 671200-91-2) is a chemical compound with molecular formula C18H19N5O3S2 and molecular weight 417.09 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-methylphenyl)thiophene-3-carboxylate
Also Known As: F3394-0780, ETHYL 2-{2-[(5-AMINO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-4-(4-METHYLPHENYL)THIOPHENE-3-CARBOXYLATE, ethyl 2-(2-((5-amino-1H-1,2,4-triazol-3-yl)thio)acetamido)-4-(p-tolyl)thiophene-3-carboxylate, ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
| Molecular Formula | C18H19N5O3S2 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 3.33132 |
| Topological Polar Surface Area | 122.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.09293 |
| Heavy Atoms | 28 |
| Complexity | 981.52997 |
Chemical Identifiers
| CAS Number | 671200-91-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NNC(=N3)N |
Product Overview
F3394-0780 (CAS 671200-91-2), with molecular formula C18H19N5O3S2 and molecular weight 417.09 g/mol. IUPAC: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of F3394-0780
Property Insights of F3394-0780
The XLogP value of 3.33132 indicates that F3394-0780 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 F3394-0780. Following Lipinski's Rule of Five, F3394-0780 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 F3394-0780?
The CAS number of F3394-0780 is 671200-91-2.
What is the molecular formula of F3394-0780?
The molecular formula of F3394-0780 is C18H19N5O3S2.
What is the molecular weight of F3394-0780?
The molecular weight of F3394-0780 is 417.09 g/mol.
Where can I buy F3394-0780?
You can request a quote for F3394-0780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0780?
Yes, KEHONG BIO provides custom synthesis services for F3394-0780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.