![[[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate structure](/static/products/3031/303151-66-8.webp)
[[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate
TL;DR: [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate (CAS 303151-66-8) is a chemical compound with molecular formula C28H26ClF3N4O3 and molecular weight 558.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate
Also Known As: [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate, 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-3-{methyl[(4-methylbenzoyl)oxy]amino}-2-propen-1-one
| Molecular Formula | C28H26ClF3N4O3 |
|---|---|
| Molecular Weight | 558.16 g/mol |
| LogP | 5.78902 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 558.16455 |
| Heavy Atoms | 39 |
| Complexity | 1353.9614 |
Chemical Identifiers
| CAS Number | 303151-66-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)ON(C)C=CC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
[[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate (CAS 303151-66-8), with molecular formula C28H26ClF3N4O3 and molecular weight 558.16 g/mol. IUPAC: [[3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate.
Chemical Property Profile of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate
Property Insights of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate
The XLogP value of 5.78902 indicates that [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate. Following Lipinski's Rule of Five, [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate?
The CAS number of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate is 303151-66-8.
What is the molecular formula of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate?
The molecular formula of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate is C28H26ClF3N4O3.
What is the molecular weight of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate?
The molecular weight of [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate is 558.16 g/mol.
Where can I buy [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate?
You can request a quote for [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [[3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-3-oxoprop-1-enyl]-methylamino] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.