F3394-0681
TL;DR: F3394-0681 (CAS 690642-73-0) is a chemical compound with molecular formula C26H27N3O3S2 and molecular weight 493.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: F3394-0681, 10-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 2-((2-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-3-phenyl-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 10-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 10-{2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethylthio}-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-12-one
| Molecular Formula | C26H27N3O3S2 |
|---|---|
| Molecular Weight | 493.15 g/mol |
| LogP | 4.97564 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.14938 |
| Heavy Atoms | 34 |
| Complexity | 1433.5095 |
Chemical Identifiers
| CAS Number | 690642-73-0 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
F3394-0681 (CAS 690642-73-0), with molecular formula C26H27N3O3S2 and molecular weight 493.15 g/mol. IUPAC: 10-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of F3394-0681
Property Insights of F3394-0681
The XLogP value of 4.97564 indicates that F3394-0681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0681. Following Lipinski's Rule of Five, F3394-0681 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0681?
The CAS number of F3394-0681 is 690642-73-0.
What is the molecular formula of F3394-0681?
The molecular formula of F3394-0681 is C26H27N3O3S2.
What is the molecular weight of F3394-0681?
The molecular weight of F3394-0681 is 493.15 g/mol.
Where can I buy F3394-0681?
You can request a quote for F3394-0681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0681?
Yes, KEHONG BIO provides custom synthesis services for F3394-0681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.