A3039/0128266
TL;DR: A3039/0128266 (CAS 380475-72-9) is a chemical compound with molecular formula C25H18F4N2O3 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
Also Known As: A3039/0128266, (2E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-[2-(trifluoromethyl)phenyl]prop-2-enamide, (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide, 2-cyano-3-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-n-[2-(trifluoromethyl)phenyl]prop-2-enamide, (2E)-2-CYANO-3-{4-[(4-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]PROP-2-ENAMIDE
| Molecular Formula | C25H18F4N2O3 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 5.97778 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.12537 |
| Heavy Atoms | 34 |
| Complexity | 1246.251 |
Chemical Identifiers
| CAS Number | 380475-72-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(F)(F)F)OCC3=CC=C(C=C3)F |
Product Overview
A3039/0128266 (CAS 380475-72-9), with molecular formula C25H18F4N2O3 and molecular weight 470.13 g/mol. IUPAC: (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.
Chemical Property Profile of A3039/0128266
Property Insights of A3039/0128266
The XLogP value of 5.97778 indicates that A3039/0128266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3039/0128266. Following Lipinski's Rule of Five, A3039/0128266 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 A3039/0128266?
The CAS number of A3039/0128266 is 380475-72-9.
What is the molecular formula of A3039/0128266?
The molecular formula of A3039/0128266 is C25H18F4N2O3.
What is the molecular weight of A3039/0128266?
The molecular weight of A3039/0128266 is 470.13 g/mol.
Where can I buy A3039/0128266?
You can request a quote for A3039/0128266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3039/0128266?
Yes, KEHONG BIO provides custom synthesis services for A3039/0128266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.