A3008/0126734
TL;DR: A3008/0126734 (CAS 430448-03-6) is a chemical compound with molecular formula C27H28N4O3 and molecular weight 456.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
Also Known As: A3008/0126734, (E)-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one, (E)-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one, (2E)-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)-3-phenylprop-2-en-1-one
| Molecular Formula | C27H28N4O3 |
|---|---|
| Molecular Weight | 456.22 g/mol |
| LogP | 4.6114 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.21616 |
| Heavy Atoms | 34 |
| Complexity | 1141.0515 |
Chemical Identifiers
| CAS Number | 430448-03-6 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4 |
Product Overview
A3008/0126734 (CAS 430448-03-6), with molecular formula C27H28N4O3 and molecular weight 456.22 g/mol. IUPAC: (E)-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one.
Chemical Property Profile of A3008/0126734
Property Insights of A3008/0126734
The XLogP value of 4.6114 indicates that A3008/0126734 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 A3008/0126734. Following Lipinski's Rule of Five, A3008/0126734 has 1 hydrogen bond donor(s) and 5 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 A3008/0126734?
The CAS number of A3008/0126734 is 430448-03-6.
What is the molecular formula of A3008/0126734?
The molecular formula of A3008/0126734 is C27H28N4O3.
What is the molecular weight of A3008/0126734?
The molecular weight of A3008/0126734 is 456.22 g/mol.
Where can I buy A3008/0126734?
You can request a quote for A3008/0126734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3008/0126734?
Yes, KEHONG BIO provides custom synthesis services for A3008/0126734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.