F3394-0749
TL;DR: F3394-0749 (CAS 690961-77-4) is a chemical compound with molecular formula C21H19ClN4O3S3 and molecular weight 506.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: F3394-0749, ETHYL 2-(2-{[5-(4-CHLOROPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-3-YL]SULFANYL}ACETAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-({[8-(p-chlorophenyl)-6-thia-1,3,4-triazabicyclo[3.3.0]octa-2,4,7-trien-2-ylthio]methyl}carbonylamino)-4,5-dimethyl-3-thenoate
| Molecular Formula | C21H19ClN4O3S3 |
|---|---|
| Molecular Weight | 506.03 g/mol |
| LogP | 5.69704 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.0308 |
| Heavy Atoms | 32 |
| Complexity | 1293.847 |
Chemical Identifiers
| CAS Number | 690961-77-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C3N2C(=CS3)C4=CC=C(C=C4)Cl |
Product Overview
F3394-0749 (CAS 690961-77-4), with molecular formula C21H19ClN4O3S3 and molecular weight 506.03 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of F3394-0749
Property Insights of F3394-0749
The XLogP value of 5.69704 indicates that F3394-0749 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 F3394-0749. Following Lipinski's Rule of Five, F3394-0749 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0749?
The CAS number of F3394-0749 is 690961-77-4.
What is the molecular formula of F3394-0749?
The molecular formula of F3394-0749 is C21H19ClN4O3S3.
What is the molecular weight of F3394-0749?
The molecular weight of F3394-0749 is 506.03 g/mol.
Where can I buy F3394-0749?
You can request a quote for F3394-0749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0749?
Yes, KEHONG BIO provides custom synthesis services for F3394-0749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.