A3063/0129425
TL;DR: A3063/0129425 (CAS 380475-46-7) is a chemical compound with molecular formula C27H24N2O4 and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-methoxyphenyl] benzoate
Also Known As: A3063/0129425, [5-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-methoxyphenyl] benzoate, 5-{2-cyano-2-[(2,4,6-trimethylphenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl benzoate
| Molecular Formula | C27H24N2O4 |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 5.38534 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1736 |
| Heavy Atoms | 33 |
| Complexity | 1248.0192 |
Chemical Identifiers
| CAS Number | 380475-46-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)OC)OC(=O)C3=CC=CC=C3)C#N)C |
Product Overview
A3063/0129425 (CAS 380475-46-7), with molecular formula C27H24N2O4 and molecular weight 440.17 g/mol. IUPAC: [5-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]-2-methoxyphenyl] benzoate.
Chemical Property Profile of A3063/0129425
Property Insights of A3063/0129425
The XLogP value of 5.38534 indicates that A3063/0129425 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 A3063/0129425. Following Lipinski's Rule of Five, A3063/0129425 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 A3063/0129425?
The CAS number of A3063/0129425 is 380475-46-7.
What is the molecular formula of A3063/0129425?
The molecular formula of A3063/0129425 is C27H24N2O4.
What is the molecular weight of A3063/0129425?
The molecular weight of A3063/0129425 is 440.17 g/mol.
Where can I buy A3063/0129425?
You can request a quote for A3063/0129425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3063/0129425?
Yes, KEHONG BIO provides custom synthesis services for A3063/0129425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.