AB00112724-01
TL;DR: AB00112724-01 (CAS 430447-61-3) is a chemical compound with molecular formula C26H28N4O3 and molecular weight 444.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone
Also Known As: AB00112724-01, A3007/0126714, (4-methylphenyl)(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone, (4-methylphenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone, 5-[4-(4-METHYLBENZOYL)PIPERAZIN-1-YL]-2-NITRO-N-(1-PHENYLETHYL)ANILINE
| Molecular Formula | C26H28N4O3 |
|---|---|
| Molecular Weight | 444.22 g/mol |
| LogP | 5.03872 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.21616 |
| Heavy Atoms | 33 |
| Complexity | 1124.0338 |
Chemical Identifiers
| CAS Number | 430447-61-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C4=CC=CC=C4 |
Product Overview
AB00112724-01 (CAS 430447-61-3), with molecular formula C26H28N4O3 and molecular weight 444.22 g/mol. IUPAC: (4-methylphenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of AB00112724-01
Property Insights of AB00112724-01
The XLogP value of 5.03872 indicates that AB00112724-01 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 AB00112724-01. Following Lipinski's Rule of Five, AB00112724-01 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 AB00112724-01?
The CAS number of AB00112724-01 is 430447-61-3.
What is the molecular formula of AB00112724-01?
The molecular formula of AB00112724-01 is C26H28N4O3.
What is the molecular weight of AB00112724-01?
The molecular weight of AB00112724-01 is 444.22 g/mol.
Where can I buy AB00112724-01?
You can request a quote for AB00112724-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112724-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112724-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.