F3394-1296
TL;DR: F3394-1296 (CAS 690643-81-3) is a chemical compound with molecular formula C25H27N5OS3 and molecular weight 509.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
Also Known As: F3394-1296, N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-({10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamide, N-(5-(4-(tert-butyl)phenyl)-1,2,4-thiadiazol-3-yl)-2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide, N-[5-(p-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]{10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9,11-tetraen-12-ylthio}acetamide
| Molecular Formula | C25H27N5OS3 |
|---|---|
| Molecular Weight | 509.14 g/mol |
| LogP | 6.2892 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.1378 |
| Heavy Atoms | 34 |
| Complexity | 1351.6339 |
Chemical Identifiers
| CAS Number | 690643-81-3 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=NSC(=N4)C5=CC=C(C=C5)C(C)(C)C |
Product Overview
F3394-1296 (CAS 690643-81-3), with molecular formula C25H27N5OS3 and molecular weight 509.14 g/mol. IUPAC: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide.
Chemical Property Profile of F3394-1296
Property Insights of F3394-1296
The XLogP value of 6.2892 indicates that F3394-1296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-1296. Following Lipinski's Rule of Five, F3394-1296 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 F3394-1296?
The CAS number of F3394-1296 is 690643-81-3.
What is the molecular formula of F3394-1296?
The molecular formula of F3394-1296 is C25H27N5OS3.
What is the molecular weight of F3394-1296?
The molecular weight of F3394-1296 is 509.14 g/mol.
Where can I buy F3394-1296?
You can request a quote for F3394-1296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1296?
Yes, KEHONG BIO provides custom synthesis services for F3394-1296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.