A2614/0111161
TL;DR: A2614/0111161 (CAS 347312-12-3) is a chemical compound with molecular formula C19H16Cl3N3O3 and molecular weight 439.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-one
Also Known As: A2614/0111161, (E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-one, (2E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-one, (2E)-3-(2,4-dichlorophenyl)-1-[4-(6-chloro-2-nitrophenyl)piperazinyl]prop-2-en -1-one, (E)-1-(4-(2-chloro-6-nitrophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
| Molecular Formula | C19H16Cl3N3O3 |
|---|---|
| Molecular Weight | 439.03 g/mol |
| LogP | 4.917 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.02573 |
| Heavy Atoms | 28 |
| Complexity | 941.26135 |
Chemical Identifiers
| CAS Number | 347312-12-3 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl |
Product Overview
A2614/0111161 (CAS 347312-12-3), with molecular formula C19H16Cl3N3O3 and molecular weight 439.03 g/mol. IUPAC: (E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-one.
Chemical Property Profile of A2614/0111161
Property Insights of A2614/0111161
The XLogP value of 4.917 indicates that A2614/0111161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A2614/0111161. Following Lipinski's Rule of Five, A2614/0111161 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2614/0111161?
The CAS number of A2614/0111161 is 347312-12-3.
What is the molecular formula of A2614/0111161?
The molecular formula of A2614/0111161 is C19H16Cl3N3O3.
What is the molecular weight of A2614/0111161?
The molecular weight of A2614/0111161 is 439.03 g/mol.
Where can I buy A2614/0111161?
You can request a quote for A2614/0111161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2614/0111161?
Yes, KEHONG BIO provides custom synthesis services for A2614/0111161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.