F0837-0458
TL;DR: F0837-0458 (CAS 477298-00-3) is a chemical compound with molecular formula C25H18FN3S and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-fluoro-2-methylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: F0837-0458, (2E)-2-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile, (E)-3-(5-fluoro-2-methylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-2-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)-3-((5-fluoro-2-methylphenyl)amino)acrylonitrile, (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(5-fluoro-2-methylphenyl)amino]prop-2-enenitrile
| Molecular Formula | C25H18FN3S |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 6.9012 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.12054 |
| Heavy Atoms | 30 |
| Complexity | 1235.6364 |
Chemical Identifiers
| CAS Number | 477298-00-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
F0837-0458 (CAS 477298-00-3), with molecular formula C25H18FN3S and molecular weight 411.12 g/mol. IUPAC: (E)-3-(5-fluoro-2-methylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of F0837-0458
Property Insights of F0837-0458
The XLogP value of 6.9012 indicates that F0837-0458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, F0837-0458 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0837-0458 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0837-0458?
The CAS number of F0837-0458 is 477298-00-3.
What is the molecular formula of F0837-0458?
The molecular formula of F0837-0458 is C25H18FN3S.
What is the molecular weight of F0837-0458?
The molecular weight of F0837-0458 is 411.12 g/mol.
Where can I buy F0837-0458?
You can request a quote for F0837-0458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0837-0458?
Yes, KEHONG BIO provides custom synthesis services for F0837-0458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.