F3394-0680
TL;DR: F3394-0680 (CAS 690642-72-9) is a chemical compound with molecular formula C25H18ClN5O2S3 and molecular weight 551.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Also Known As: F3394-0680, N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide, N-(5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl)-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide, N-[5-(p-chlorophenyl)-1,2,4-thiadiazol-3-yl]{12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-10-ylthio}acetamide
| Molecular Formula | C25H18ClN5O2S3 |
|---|---|
| Molecular Weight | 551.03 g/mol |
| LogP | 5.8386 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.0311 |
| Heavy Atoms | 36 |
| Complexity | 1644.5546 |
Chemical Identifiers
| CAS Number | 690642-72-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=NSC(=N4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6 |
Product Overview
F3394-0680 (CAS 690642-72-9), with molecular formula C25H18ClN5O2S3 and molecular weight 551.03 g/mol. IUPAC: N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide.
Chemical Property Profile of F3394-0680
Property Insights of F3394-0680
The XLogP value of 5.8386 indicates that F3394-0680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0680. Following Lipinski's Rule of Five, F3394-0680 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 F3394-0680?
The CAS number of F3394-0680 is 690642-72-9.
What is the molecular formula of F3394-0680?
The molecular formula of F3394-0680 is C25H18ClN5O2S3.
What is the molecular weight of F3394-0680?
The molecular weight of F3394-0680 is 551.03 g/mol.
Where can I buy F3394-0680?
You can request a quote for F3394-0680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0680?
Yes, KEHONG BIO provides custom synthesis services for F3394-0680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.