F3394-1116
TL;DR: F3394-1116 (CAS 690645-79-5) is a chemical compound with molecular formula C30H27N5O4S2 and molecular weight 585.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]sulfanyl]-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Also Known As: F3394-1116, 2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thio)-N-(5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl)acetamide, 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]sulfanyl]-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide, 2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
| Molecular Formula | C30H27N5O4S2 |
|---|---|
| Molecular Weight | 585.15 g/mol |
| LogP | 6.04188 |
| Topological Polar Surface Area | 127.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 585.15045 |
| Heavy Atoms | 41 |
| Complexity | 1658.1309 |
Chemical Identifiers
| CAS Number | 690645-79-5 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)NC3=NSC(=N3)C4=CC=C(C=C4)OC)C#N)C5=CC=C(C=C5)OC)C |
Product Overview
F3394-1116 (CAS 690645-79-5), with molecular formula C30H27N5O4S2 and molecular weight 585.15 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]sulfanyl]-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide.
Chemical Property Profile of F3394-1116
Property Insights of F3394-1116
The XLogP value of 6.04188 indicates that F3394-1116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F3394-1116. Following Lipinski's Rule of Five, F3394-1116 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3394-1116?
The CAS number of F3394-1116 is 690645-79-5.
What is the molecular formula of F3394-1116?
The molecular formula of F3394-1116 is C30H27N5O4S2.
What is the molecular weight of F3394-1116?
The molecular weight of F3394-1116 is 585.15 g/mol.
Where can I buy F3394-1116?
You can request a quote for F3394-1116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1116?
Yes, KEHONG BIO provides custom synthesis services for F3394-1116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.