AB00112657-01
TL;DR: AB00112657-01 (CAS 430454-54-9) is a chemical compound with molecular formula C25H25FN4O3 and molecular weight 448.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone
Also Known As: AB00112657-01, A3007/0126711, (4-fluorophenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone, 5-[4-(4-fluorobenzoyl)-1-piperazinyl]-2-nitro-N-(1-phenylethyl)aniline, (4-fluorophenyl)(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone
| Molecular Formula | C25H25FN4O3 |
|---|---|
| Molecular Weight | 448.19 g/mol |
| LogP | 4.8694 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.19107 |
| Heavy Atoms | 33 |
| Complexity | 1130.1488 |
Chemical Identifiers
| CAS Number | 430454-54-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-] |
Product Overview
AB00112657-01 (CAS 430454-54-9), with molecular formula C25H25FN4O3 and molecular weight 448.19 g/mol. IUPAC: (4-fluorophenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of AB00112657-01
Property Insights of AB00112657-01
The XLogP value of 4.8694 indicates that AB00112657-01 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 AB00112657-01. Following Lipinski's Rule of Five, AB00112657-01 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 AB00112657-01?
The CAS number of AB00112657-01 is 430454-54-9.
What is the molecular formula of AB00112657-01?
The molecular formula of AB00112657-01 is C25H25FN4O3.
What is the molecular weight of AB00112657-01?
The molecular weight of AB00112657-01 is 448.19 g/mol.
Where can I buy AB00112657-01?
You can request a quote for AB00112657-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112657-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112657-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.