A3039/0128282
TL;DR: A3039/0128282 (CAS 380476-30-2) is a chemical compound with molecular formula C23H14BrCl3N2O2 and molecular weight 533.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
Also Known As: A3039/0128282, (2E)-3-{3-bromo-4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide, (E)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide, 3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
| Molecular Formula | C23H14BrCl3N2O2 |
|---|---|
| Molecular Weight | 533.93 g/mol |
| LogP | 7.53398 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.9304 |
| Heavy Atoms | 31 |
| Complexity | 1168.1663 |
Chemical Identifiers
| CAS Number | 380476-30-2 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=CC(=C3)Cl)Cl)Br)Cl |
Product Overview
A3039/0128282 (CAS 380476-30-2), with molecular formula C23H14BrCl3N2O2 and molecular weight 533.93 g/mol. IUPAC: (E)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide.
Chemical Property Profile of A3039/0128282
Property Insights of A3039/0128282
The XLogP value of 7.53398 indicates that A3039/0128282 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 A3039/0128282. Following Lipinski's Rule of Five, A3039/0128282 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 A3039/0128282?
The CAS number of A3039/0128282 is 380476-30-2.
What is the molecular formula of A3039/0128282?
The molecular formula of A3039/0128282 is C23H14BrCl3N2O2.
What is the molecular weight of A3039/0128282?
The molecular weight of A3039/0128282 is 533.93 g/mol.
Where can I buy A3039/0128282?
You can request a quote for A3039/0128282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3039/0128282?
Yes, KEHONG BIO provides custom synthesis services for A3039/0128282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.