F3394-0691
TL;DR: F3394-0691 (CAS 727688-91-7) is a chemical compound with molecular formula C20H16Cl2N2O2S2 and molecular weight 450.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: F3394-0691, 10-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 10-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one, 11-allyl-10-[(3,4-dichlorobenzoyl)methylthio]-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-12-one, 3-allyl-2-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C20H16Cl2N2O2S2 |
|---|---|
| Molecular Weight | 450.00 g/mol |
| LogP | 5.4145 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.00302 |
| Heavy Atoms | 28 |
| Complexity | 1167.2025 |
Chemical Identifiers
| CAS Number | 727688-91-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)Cl)Cl)SC4=C2CCC4 |
Product Overview
F3394-0691 (CAS 727688-91-7), with molecular formula C20H16Cl2N2O2S2 and molecular weight 450.00 g/mol. IUPAC: 10-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of F3394-0691
Property Insights of F3394-0691
The XLogP value of 5.4145 indicates that F3394-0691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, F3394-0691 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F3394-0691 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-0691?
The CAS number of F3394-0691 is 727688-91-7.
What is the molecular formula of F3394-0691?
The molecular formula of F3394-0691 is C20H16Cl2N2O2S2.
What is the molecular weight of F3394-0691?
The molecular weight of F3394-0691 is 450.00 g/mol.
Where can I buy F3394-0691?
You can request a quote for F3394-0691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0691?
Yes, KEHONG BIO provides custom synthesis services for F3394-0691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.