A3062/0129403
TL;DR: A3062/0129403 (CAS 380477-27-0) is a chemical compound with molecular formula C25H19BrCl2N2O3 and molecular weight 544.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
Also Known As: A3062/0129403, (2E)-3-{4-[(4-bromobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide, (E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide, (2E)-3-{4-[(4-BROMOBENZYL)OXY]-3-ETHOXYPHENYL}-2-CYANO-N-(3,5-DICHLOROPHENYL)ACRYLAMIDE, 3-{4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
| Molecular Formula | C25H19BrCl2N2O3 |
|---|---|
| Molecular Weight | 544.00 g/mol |
| LogP | 7.27928 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.9956 |
| Heavy Atoms | 33 |
| Complexity | 1201.0619 |
Chemical Identifiers
| CAS Number | 380477-27-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC(=C2)Cl)Cl)OCC3=CC=C(C=C3)Br |
Product Overview
A3062/0129403 (CAS 380477-27-0), with molecular formula C25H19BrCl2N2O3 and molecular weight 544.00 g/mol. IUPAC: (E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide.
Chemical Property Profile of A3062/0129403
Property Insights of A3062/0129403
The XLogP value of 7.27928 indicates that A3062/0129403 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3062/0129403. Following Lipinski's Rule of Five, A3062/0129403 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3062/0129403?
The CAS number of A3062/0129403 is 380477-27-0.
What is the molecular formula of A3062/0129403?
The molecular formula of A3062/0129403 is C25H19BrCl2N2O3.
What is the molecular weight of A3062/0129403?
The molecular weight of A3062/0129403 is 544.00 g/mol.
Where can I buy A3062/0129403?
You can request a quote for A3062/0129403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3062/0129403?
Yes, KEHONG BIO provides custom synthesis services for A3062/0129403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.