A3039/0128279
TL;DR: A3039/0128279 (CAS 380477-63-4) is a chemical compound with molecular formula C23H15Cl3N2O2 and molecular weight 456.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
Also Known As: A3039/0128279, (2E)-3-{4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide, (E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide, (2E)-3-{4-[(4-CHLOROBENZYL)OXY]PHENYL}-2-CYANO-N-(3,5-DICHLOROPHENYL)ACRYLAMIDE, 3-{4-[(4-chlorophenyl)methoxy]phenyl}-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
| Molecular Formula | C23H15Cl3N2O2 |
|---|---|
| Molecular Weight | 456.02 g/mol |
| LogP | 6.77148 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.0199 |
| Heavy Atoms | 30 |
| Complexity | 1098.4303 |
Chemical Identifiers
| CAS Number | 380477-63-4 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=CC(=C3)Cl)Cl)Cl |
Product Overview
A3039/0128279 (CAS 380477-63-4), with molecular formula C23H15Cl3N2O2 and molecular weight 456.02 g/mol. IUPAC: (E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide.
Chemical Property Profile of A3039/0128279
Property Insights of A3039/0128279
The XLogP value of 6.77148 indicates that A3039/0128279 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 A3039/0128279. Following Lipinski's Rule of Five, A3039/0128279 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 A3039/0128279?
The CAS number of A3039/0128279 is 380477-63-4.
What is the molecular formula of A3039/0128279?
The molecular formula of A3039/0128279 is C23H15Cl3N2O2.
What is the molecular weight of A3039/0128279?
The molecular weight of A3039/0128279 is 456.02 g/mol.
Where can I buy A3039/0128279?
You can request a quote for A3039/0128279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3039/0128279?
Yes, KEHONG BIO provides custom synthesis services for A3039/0128279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.