F3394-1176
TL;DR: F3394-1176 (CAS 690646-88-9) is a chemical compound with molecular formula C18H18N4O4S2 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methoxyphenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: F3394-1176, ethyl 2-(2-((1H-1,2,4-triazol-3-yl)thio)acetamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate, ethyl 4-(4-methoxyphenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, ETHYL 4-(4-METHOXYPHENYL)-2-[2-(1H-1,2,4-TRIAZOL-3-YLSULFANYL)ACETAMIDO]THIOPHENE-3-CARBOXYLATE, ethyl 4-(p-methoxyphenyl)-2-{[(1H-1,2,4-triazol-3-ylthio)methyl]carbonylamino}-3-thenoate
| Molecular Formula | C18H18N4O4S2 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 3.4493 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.07693 |
| Heavy Atoms | 28 |
| Complexity | 939.16364 |
Chemical Identifiers
| CAS Number | 690646-88-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC=NN3 |
Product Overview
F3394-1176 (CAS 690646-88-9), with molecular formula C18H18N4O4S2 and molecular weight 418.08 g/mol. IUPAC: ethyl 4-(4-methoxyphenyl)-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of F3394-1176
Property Insights of F3394-1176
The XLogP value of 3.4493 indicates that F3394-1176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-1176. Following Lipinski's Rule of Five, F3394-1176 has 2 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 F3394-1176?
The CAS number of F3394-1176 is 690646-88-9.
What is the molecular formula of F3394-1176?
The molecular formula of F3394-1176 is C18H18N4O4S2.
What is the molecular weight of F3394-1176?
The molecular weight of F3394-1176 is 418.08 g/mol.
Where can I buy F3394-1176?
You can request a quote for F3394-1176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1176?
Yes, KEHONG BIO provides custom synthesis services for F3394-1176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.