(4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
TL;DR: (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate (CAS 560998-63-2) is a chemical compound with molecular formula C29H21ClFN3O3 and molecular weight 513.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
Also Known As: (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate, Benzeneacetic acid, .alpha.-[(4-chlorophenyl)methylene]-4-fluoro-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester, Benzeneacetic acid, alpha-[(4-chlorophenyl)methylene]-4-fluoro-, 2-oxo-2-[[4-(2-phenyldiazenyl)phenyl]amino]ethyl ester
| Molecular Formula | C29H21ClFN3O3 |
|---|---|
| Molecular Weight | 513.13 g/mol |
| LogP | 7.617 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.12555 |
| Heavy Atoms | 37 |
| Complexity | 1420.4812 |
Chemical Identifiers
| CAS Number | 560998-63-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F |
Product Overview
(4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate (CAS 560998-63-2), with molecular formula C29H21ClFN3O3 and molecular weight 513.13 g/mol. IUPAC: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate.
Chemical Property Profile of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
Property Insights of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate
The XLogP value of 7.617 indicates that (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate. Following Lipinski's Rule of Five, (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate?
The CAS number of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate is 560998-63-2.
What is the molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate?
The molecular formula of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate is C29H21ClFN3O3.
What is the molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate?
The molecular weight of (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate is 513.13 g/mol.
Where can I buy (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate?
You can request a quote for (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (4-phenyldiazenylphenyl)carbamoylmethyl 3-(4-chlorophenyl)-2-(4-fluorophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.