A3067/0129630
TL;DR: A3067/0129630 (CAS 342581-58-2) is a chemical compound with molecular formula C25H17Cl2F3N2O3 and molecular weight 520.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Also Known As: A3067/0129630, (2E)-3-{3-[(2-chlorobenzyl)oxy]-4-methoxyphenyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide, (E)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide, (2E)-N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-3-{3-[(2-CHLOROPHENYL)METHOXY]-4-METHOXYPHENYL}-2-CYANOPROP-2-ENAMIDE, N-[2-chloro-5-(trifluoromethyl)phenyl]-3-{3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}-2-cyanoprop-2-enamide
| Molecular Formula | C25H17Cl2F3N2O3 |
|---|---|
| Molecular Weight | 520.06 g/mol |
| LogP | 7.14548 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.0568 |
| Heavy Atoms | 35 |
| Complexity | 1318.0397 |
Chemical Identifiers
| CAS Number | 342581-58-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OCC3=CC=CC=C3Cl |
Product Overview
A3067/0129630 (CAS 342581-58-2), with molecular formula C25H17Cl2F3N2O3 and molecular weight 520.06 g/mol. IUPAC: (E)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide.
Chemical Property Profile of A3067/0129630
Property Insights of A3067/0129630
The XLogP value of 7.14548 indicates that A3067/0129630 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 A3067/0129630. Following Lipinski's Rule of Five, A3067/0129630 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 A3067/0129630?
The CAS number of A3067/0129630 is 342581-58-2.
What is the molecular formula of A3067/0129630?
The molecular formula of A3067/0129630 is C25H17Cl2F3N2O3.
What is the molecular weight of A3067/0129630?
The molecular weight of A3067/0129630 is 520.06 g/mol.
Where can I buy A3067/0129630?
You can request a quote for A3067/0129630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3067/0129630?
Yes, KEHONG BIO provides custom synthesis services for A3067/0129630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.