F1110-0332
TL;DR: F1110-0332 (CAS 683258-06-2) is a chemical compound with molecular formula C22H13BrClN3O2S and molecular weight 496.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methylanilino)prop-2-enenitrile
Also Known As: F1110-0332, (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(5-chloro-2-methylphenyl)amino]prop-2-enenitrile, (E)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((5-chloro-2-methylphenyl)amino)acrylonitrile, (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methylanilino)prop-2-enenitrile, (E)-2-[4-(6-bromo-3-coumarinyl)-1,3-thiazol-2-yl]-3-(5-chloro-2-toluidino)acrylonitrile
| Molecular Formula | C22H13BrClN3O2S |
|---|---|
| Molecular Weight | 496.96 g/mol |
| LogP | 6.6174 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.96005 |
| Heavy Atoms | 30 |
| Complexity | 1401.7678 |
Chemical Identifiers
| CAS Number | 683258-06-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
F1110-0332 (CAS 683258-06-2), with molecular formula C22H13BrClN3O2S and molecular weight 496.96 g/mol. IUPAC: (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(5-chloro-2-methylanilino)prop-2-enenitrile.
Chemical Property Profile of F1110-0332
Property Insights of F1110-0332
The XLogP value of 6.6174 indicates that F1110-0332 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 F1110-0332. Following Lipinski's Rule of Five, F1110-0332 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 F1110-0332?
The CAS number of F1110-0332 is 683258-06-2.
What is the molecular formula of F1110-0332?
The molecular formula of F1110-0332 is C22H13BrClN3O2S.
What is the molecular weight of F1110-0332?
The molecular weight of F1110-0332 is 496.96 g/mol.
Where can I buy F1110-0332?
You can request a quote for F1110-0332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1110-0332?
Yes, KEHONG BIO provides custom synthesis services for F1110-0332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.