(Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide
TL;DR: (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide (CAS 310440-69-8) is a chemical compound with molecular formula C28H21Cl2FN4O2 and molecular weight 534.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
Also Known As: (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide, 2,4-dichloro-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
| Molecular Formula | C28H21Cl2FN4O2 |
|---|---|
| Molecular Weight | 534.10 g/mol |
| LogP | 6.0583 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.10254 |
| Heavy Atoms | 37 |
| Complexity | 1482.0703 |
Chemical Identifiers
| CAS Number | 310440-69-8 |
|---|---|
| SMILES | C=CCNC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3)/NC(=O)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
(Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide (CAS 310440-69-8), with molecular formula C28H21Cl2FN4O2 and molecular weight 534.10 g/mol. IUPAC: 2,4-dichloro-N-[(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide.
Chemical Property Profile of (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide
Property Insights of (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide
The XLogP value of 6.0583 indicates that (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide. Following Lipinski's Rule of Five, (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide 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 (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide?
The CAS number of (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide is 310440-69-8.
What is the molecular formula of (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide?
The molecular formula of (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide is C28H21Cl2FN4O2.
What is the molecular weight of (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide?
The molecular weight of (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide is 534.10 g/mol.
Where can I buy (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide?
You can request a quote for (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(3-(allylamino)-1-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl)-2,4-dichlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.