A2614/0111163
TL;DR: A2614/0111163 (CAS 330829-32-8) is a chemical compound with molecular formula C27H26Cl2N4O3 and molecular weight 524.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,4-dichlorophenyl)-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]prop-2-en-1-one
Also Known As: A2614/0111163, (2E)-3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one, (2E)-3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piper azinyl)prop-2-en-1-one, (E)-3-(2,4-dichlorophenyl)-1-(4-(4-nitro-3-(phenethylamino)phenyl)piperazin-1-yl)prop-2-en-1-one, (E)-3-(2,4-dichlorophenyl)-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]prop-2-en-1-one
| Molecular Formula | C27H26Cl2N4O3 |
|---|---|
| Molecular Weight | 524.14 g/mol |
| LogP | 5.9182 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.1382 |
| Heavy Atoms | 36 |
| Complexity | 1259.1285 |
Chemical Identifiers
| CAS Number | 330829-32-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)/C=C/C4=C(C=C(C=C4)Cl)Cl |
Product Overview
A2614/0111163 (CAS 330829-32-8), with molecular formula C27H26Cl2N4O3 and molecular weight 524.14 g/mol. IUPAC: (E)-3-(2,4-dichlorophenyl)-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]prop-2-en-1-one.
Chemical Property Profile of A2614/0111163
Property Insights of A2614/0111163
The XLogP value of 5.9182 indicates that A2614/0111163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A2614/0111163. Following Lipinski's Rule of Five, A2614/0111163 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2614/0111163?
The CAS number of A2614/0111163 is 330829-32-8.
What is the molecular formula of A2614/0111163?
The molecular formula of A2614/0111163 is C27H26Cl2N4O3.
What is the molecular weight of A2614/0111163?
The molecular weight of A2614/0111163 is 524.14 g/mol.
Where can I buy A2614/0111163?
You can request a quote for A2614/0111163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2614/0111163?
Yes, KEHONG BIO provides custom synthesis services for A2614/0111163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.