A3066/0129561
TL;DR: A3066/0129561 (CAS 380475-06-9) is a chemical compound with molecular formula C23H16ClFN2O2 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
Also Known As: A3066/0129561, (2E)-3-{3-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N-(2-fluorophenyl)prop-2-enamide, (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide, 3-{3-[(2-chlorophenyl)methoxy]phenyl}-2-cyano-N-(2-fluorophenyl)prop-2-enamide
| Molecular Formula | C23H16ClFN2O2 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 5.60378 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.08844 |
| Heavy Atoms | 29 |
| Complexity | 1105.782 |
Chemical Identifiers
| CAS Number | 380475-06-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3F)Cl |
Product Overview
A3066/0129561 (CAS 380475-06-9), with molecular formula C23H16ClFN2O2 and molecular weight 406.09 g/mol. IUPAC: (E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide.
Chemical Property Profile of A3066/0129561
Property Insights of A3066/0129561
The XLogP value of 5.60378 indicates that A3066/0129561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for A3066/0129561. Following Lipinski's Rule of Five, A3066/0129561 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3066/0129561?
The CAS number of A3066/0129561 is 380475-06-9.
What is the molecular formula of A3066/0129561?
The molecular formula of A3066/0129561 is C23H16ClFN2O2.
What is the molecular weight of A3066/0129561?
The molecular weight of A3066/0129561 is 406.09 g/mol.
Where can I buy A3066/0129561?
You can request a quote for A3066/0129561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3066/0129561?
Yes, KEHONG BIO provides custom synthesis services for A3066/0129561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.