F1110-0379
TL;DR: F1110-0379 (CAS 683258-53-9) is a chemical compound with molecular formula C21H11ClFN3O2S and molecular weight 423.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-4-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: F1110-0379, (E)-3-(3-chloro-4-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, 3-[(3-chloro-4-fluoro-phenyl)amino]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H11ClFN3O2S |
|---|---|
| Molecular Weight | 423.02 g/mol |
| LogP | 5.68558 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.02444 |
| Heavy Atoms | 29 |
| Complexity | 1354.0428 |
Chemical Identifiers
| CAS Number | 683258-53-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/NC4=CC(=C(C=C4)F)Cl)/C#N |
Product Overview
F1110-0379 (CAS 683258-53-9), with molecular formula C21H11ClFN3O2S and molecular weight 423.02 g/mol. IUPAC: (E)-3-(3-chloro-4-fluoroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of F1110-0379
Property Insights of F1110-0379
The XLogP value of 5.68558 indicates that F1110-0379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F1110-0379. Following Lipinski's Rule of Five, F1110-0379 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1110-0379?
The CAS number of F1110-0379 is 683258-53-9.
What is the molecular formula of F1110-0379?
The molecular formula of F1110-0379 is C21H11ClFN3O2S.
What is the molecular weight of F1110-0379?
The molecular weight of F1110-0379 is 423.02 g/mol.
Where can I buy F1110-0379?
You can request a quote for F1110-0379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1110-0379?
Yes, KEHONG BIO provides custom synthesis services for F1110-0379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.