AB00122491-01
TL;DR: AB00122491-01 (CAS 433243-53-9) is a chemical compound with molecular formula C27H30N4O4 and molecular weight 474.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxyphenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone
Also Known As: AB00122491-01, A3047/0128656, (4-ethoxyphenyl)(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone, (4-ethoxyphenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone, 5-[4-(4-ETHOXYBENZOYL)PIPERAZIN-1-YL]-2-NITRO-N-(1-PHENYLETHYL)ANILINE
| Molecular Formula | C27H30N4O4 |
|---|---|
| Molecular Weight | 474.23 g/mol |
| LogP | 5.129 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.2267 |
| Heavy Atoms | 35 |
| Complexity | 1159.5586 |
Chemical Identifiers
| CAS Number | 433243-53-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C4=CC=CC=C4 |
Product Overview
AB00122491-01 (CAS 433243-53-9), with molecular formula C27H30N4O4 and molecular weight 474.23 g/mol. IUPAC: (4-ethoxyphenyl)-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of AB00122491-01
Property Insights of AB00122491-01
The XLogP value of 5.129 indicates that AB00122491-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122491-01. Following Lipinski's Rule of Five, AB00122491-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00122491-01?
The CAS number of AB00122491-01 is 433243-53-9.
What is the molecular formula of AB00122491-01?
The molecular formula of AB00122491-01 is C27H30N4O4.
What is the molecular weight of AB00122491-01?
The molecular weight of AB00122491-01 is 474.23 g/mol.
Where can I buy AB00122491-01?
You can request a quote for AB00122491-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122491-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122491-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.