F0452-4968
TL;DR: F0452-4968 (CAS 330159-50-7) is a chemical compound with molecular formula C25H23ClFN3O2 and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-(3-chloro-4-methylanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Also Known As: F0452-4968, (2Z)-N-(3-CHLORO-4-METHYLPHENYL)-3-[4-(DIMETHYLAMINO)PHENYL]-2-[(2-FLUOROPHENYL)FORMAMIDO]PROP-2-ENAMIDE, (Z)-N-(3-((3-chloro-4-methylphenyl)amino)-1-(4-(dimethylamino)phenyl)-3-oxoprop-1-en-2-yl)-2-fluorobenzamide, N-[(Z)-3-(3-chloro-4-methylanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-2-fluorobenzamide, N-(3-chloro-4-tolyl)-(Z)-3-[p-(dimethylamino)phenyl]-2-(o-fluorobenzylamino)acrylamide
| Molecular Formula | C25H23ClFN3O2 |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 5.26312 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.14627 |
| Heavy Atoms | 32 |
| Complexity | 1174.0594 |
Chemical Identifiers
| CAS Number | 330159-50-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/NC(=O)C3=CC=CC=C3F)Cl |
Product Overview
F0452-4968 (CAS 330159-50-7), with molecular formula C25H23ClFN3O2 and molecular weight 451.15 g/mol. IUPAC: N-[(Z)-3-(3-chloro-4-methylanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-2-fluorobenzamide.
Chemical Property Profile of F0452-4968
Property Insights of F0452-4968
The XLogP value of 5.26312 indicates that F0452-4968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for F0452-4968. Following Lipinski's Rule of Five, F0452-4968 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0452-4968?
The CAS number of F0452-4968 is 330159-50-7.
What is the molecular formula of F0452-4968?
The molecular formula of F0452-4968 is C25H23ClFN3O2.
What is the molecular weight of F0452-4968?
The molecular weight of F0452-4968 is 451.15 g/mol.
Where can I buy F0452-4968?
You can request a quote for F0452-4968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0452-4968?
Yes, KEHONG BIO provides custom synthesis services for F0452-4968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.