A3039/0128271
TL;DR: A3039/0128271 (CAS 380474-95-3) is a chemical compound with molecular formula C26H19F3N2O5 and molecular weight 496.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Also Known As: A3039/0128271, [5-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate, 5-[(1E)-2-cyano-3-oxo-3-{[2-(trifluoromethyl)phenyl]amino}prop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate, 5-(2-cyano-2-{[2-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl 4-methoxybenzoate
| Molecular Formula | C26H19F3N2O5 |
|---|---|
| Molecular Weight | 496.12 g/mol |
| LogP | 5.48748 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.1246 |
| Heavy Atoms | 36 |
| Complexity | 1342.921 |
Chemical Identifiers
| CAS Number | 380474-95-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(F)(F)F)OC |
Product Overview
A3039/0128271 (CAS 380474-95-3), with molecular formula C26H19F3N2O5 and molecular weight 496.12 g/mol. IUPAC: [5-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate.
Chemical Property Profile of A3039/0128271
Property Insights of A3039/0128271
The XLogP value of 5.48748 indicates that A3039/0128271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for A3039/0128271. Following Lipinski's Rule of Five, A3039/0128271 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3039/0128271?
The CAS number of A3039/0128271 is 380474-95-3.
What is the molecular formula of A3039/0128271?
The molecular formula of A3039/0128271 is C26H19F3N2O5.
What is the molecular weight of A3039/0128271?
The molecular weight of A3039/0128271 is 496.12 g/mol.
Where can I buy A3039/0128271?
You can request a quote for A3039/0128271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3039/0128271?
Yes, KEHONG BIO provides custom synthesis services for A3039/0128271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.