F1174-0666
TL;DR: F1174-0666 (CAS 442865-30-7) is a chemical compound with molecular formula C22H16N4O3S3 and molecular weight 480.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: F1174-0666, methyl 5-phenyl-2-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-3-carboxylate, methyl 5-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, methyl 2-(2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)acetamido)-5-phenylthiophene-3-carboxylate, methyl 5-phenyl-2-[({7-thia-2,4,5-triazatricyclo[6.4.0.0(2),]dodeca-1(8),3,5,9,11-pentaen-3-ylthio}methyl)carbonylamino]-3-thenoate
| Molecular Formula | C22H16N4O3S3 |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 5.1899 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.03845 |
| Heavy Atoms | 32 |
| Complexity | 1438.9773 |
Chemical Identifiers
| CAS Number | 442865-30-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
F1174-0666 (CAS 442865-30-7), with molecular formula C22H16N4O3S3 and molecular weight 480.04 g/mol. IUPAC: methyl 5-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of F1174-0666
Property Insights of F1174-0666
The XLogP value of 5.1899 indicates that F1174-0666 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 F1174-0666. Following Lipinski's Rule of Five, F1174-0666 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 F1174-0666?
The CAS number of F1174-0666 is 442865-30-7.
What is the molecular formula of F1174-0666?
The molecular formula of F1174-0666 is C22H16N4O3S3.
What is the molecular weight of F1174-0666?
The molecular weight of F1174-0666 is 480.04 g/mol.
Where can I buy F1174-0666?
You can request a quote for F1174-0666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1174-0666?
Yes, KEHONG BIO provides custom synthesis services for F1174-0666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.