AB00122089-01
TL;DR: AB00122089-01 (CAS 433250-12-5) is a chemical compound with molecular formula C22H28N4O3 and molecular weight 396.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]propan-1-one
Also Known As: AB00122089-01, 2-methyl-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)propan-1-one, 2-methyl-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]propan-1-one, 2-methyl-1-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]propan-1-one
| Molecular Formula | C22H28N4O3 |
|---|---|
| Molecular Weight | 396.22 g/mol |
| LogP | 3.554 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.21616 |
| Heavy Atoms | 29 |
| Complexity | 846.3908 |
Chemical Identifiers
| CAS Number | 433250-12-5 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3 |
Product Overview
AB00122089-01 (CAS 433250-12-5), with molecular formula C22H28N4O3 and molecular weight 396.22 g/mol. IUPAC: 2-methyl-1-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]propan-1-one.
Chemical Property Profile of AB00122089-01
Property Insights of AB00122089-01
The XLogP value of 3.554 indicates that AB00122089-01 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 AB00122089-01. Following Lipinski's Rule of Five, AB00122089-01 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 AB00122089-01?
The CAS number of AB00122089-01 is 433250-12-5.
What is the molecular formula of AB00122089-01?
The molecular formula of AB00122089-01 is C22H28N4O3.
What is the molecular weight of AB00122089-01?
The molecular weight of AB00122089-01 is 396.22 g/mol.
Where can I buy AB00122089-01?
You can request a quote for AB00122089-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122089-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122089-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.