F3394-0653
TL;DR: F3394-0653 (CAS 690961-10-5) is a chemical compound with molecular formula C29H26N2O5S and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Also Known As: F3394-0653, 2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-((2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile, 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethylthio]-4-(p-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C29H26N2O5S |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 5.53018 |
| Topological Polar Surface Area | 98.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.15625 |
| Heavy Atoms | 37 |
| Complexity | 1440.1316 |
Chemical Identifiers
| CAS Number | 690961-10-5 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C#N)C5=CC=C(C=C5)OC)C |
Product Overview
F3394-0653 (CAS 690961-10-5), with molecular formula C29H26N2O5S and molecular weight 514.16 g/mol. IUPAC: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of F3394-0653
Property Insights of F3394-0653
The XLogP value of 5.53018 indicates that F3394-0653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.51 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-0653. Following Lipinski's Rule of Five, F3394-0653 has 0 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 F3394-0653?
The CAS number of F3394-0653 is 690961-10-5.
What is the molecular formula of F3394-0653?
The molecular formula of F3394-0653 is C29H26N2O5S.
What is the molecular weight of F3394-0653?
The molecular weight of F3394-0653 is 514.16 g/mol.
Where can I buy F3394-0653?
You can request a quote for F3394-0653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-0653?
Yes, KEHONG BIO provides custom synthesis services for F3394-0653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.