F3394-0574
TL;DR: F3394-0574 (CAS 671200-13-8) is a chemical compound with molecular formula C25H25ClN4O3S3 and molecular weight 560.07776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[3-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F3394-0574, ETHYL 2-(3-{[5-(4-CHLOROPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3]THIAZOL-3-YL]SULFANYL}PROPANAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(3-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[3-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-{3-[8-(p-chlorophenyl)-6-thia-1,3,4-triazabicyclo[3.3.0]octa-2,4,7-trien-2-ylthio]propionylamino}-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxylate
Technical Specifications
| Molecular Formula | C25H25ClN4O3S3 |
| Molecular Weight | 560.07776 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.07776 Da |
| Heavy Atoms | 36 |
| Complexity | 775.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCSC3=NN=C4N3C(=CS4)C5=CC=C(C=C5)Cl |
| InChIKey | NCYMQPYWMAQPGO-UHFFFAOYSA-N |
Chemical Property Profile of F3394-0574
Property Insights of F3394-0574
The XLogP value of 7.8 indicates that F3394-0574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting F3394-0574 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F3394-0574 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of F3394-0574?
The CAS number of F3394-0574 is 671200-13-8.
What is the molecular formula of F3394-0574?
The molecular formula of F3394-0574 is C25H25ClN4O3S3.
What is the molecular weight of F3394-0574?
The molecular weight of F3394-0574 is 560.07776 g/mol.
Where can I buy F3394-0574?
You can request a quote for F3394-0574 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for F3394-0574?
Yes, CoreyChem provides custom synthesis services for F3394-0574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.