A3067/0129619
TL;DR: A3067/0129619 (CAS 380477-46-3) is a chemical compound with molecular formula C28H26N2O4 and molecular weight 454.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate
Also Known As: A3067/0129619, [4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate, 4-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}-2-ethoxyphenyl benzoate, 4-{(1E)-2-cyano-3-oxo-3-[(2,4,6-trimethylphenyl)amino]prop-1-en-1-yl}-2-ethoxyphenyl benzoate
| Molecular Formula | C28H26N2O4 |
|---|---|
| Molecular Weight | 454.19 g/mol |
| LogP | 5.77544 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.18927 |
| Heavy Atoms | 34 |
| Complexity | 1264.4985 |
Chemical Identifiers
| CAS Number | 380477-46-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2C)C)C)OC(=O)C3=CC=CC=C3 |
Product Overview
A3067/0129619 (CAS 380477-46-3), with molecular formula C28H26N2O4 and molecular weight 454.19 g/mol. IUPAC: [4-[(E)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-ethoxyphenyl] benzoate.
Chemical Property Profile of A3067/0129619
Property Insights of A3067/0129619
The XLogP value of 5.77544 indicates that A3067/0129619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A3067/0129619. Following Lipinski's Rule of Five, A3067/0129619 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 A3067/0129619?
The CAS number of A3067/0129619 is 380477-46-3.
What is the molecular formula of A3067/0129619?
The molecular formula of A3067/0129619 is C28H26N2O4.
What is the molecular weight of A3067/0129619?
The molecular weight of A3067/0129619 is 454.19 g/mol.
Where can I buy A3067/0129619?
You can request a quote for A3067/0129619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3067/0129619?
Yes, KEHONG BIO provides custom synthesis services for A3067/0129619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.