A3045/0128554
TL;DR: A3045/0128554 (CAS 432532-33-7) is a chemical compound with molecular formula C24H27N5O4 and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
Also Known As: A3045/0128554, [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone, 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-ethoxybenzoyl)piperazine, {4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(4-ethoxyphenyl)methanone
| Molecular Formula | C24H27N5O4 |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 3.75844 |
| Topological Polar Surface Area | 93.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.2063 |
| Heavy Atoms | 33 |
| Complexity | 1164.0978 |
Chemical Identifiers
| CAS Number | 432532-33-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=CC(=N4)C)C |
Product Overview
A3045/0128554 (CAS 432532-33-7), with molecular formula C24H27N5O4 and molecular weight 449.21 g/mol. IUPAC: [4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone.
Chemical Property Profile of A3045/0128554
Property Insights of A3045/0128554
The XLogP value of 3.75844 indicates that A3045/0128554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.74 Ų falls within the moderate polarity range, balancing permeability and solubility for A3045/0128554. Following Lipinski's Rule of Five, A3045/0128554 has 0 hydrogen bond donor(s) and 6 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 A3045/0128554?
The CAS number of A3045/0128554 is 432532-33-7.
What is the molecular formula of A3045/0128554?
The molecular formula of A3045/0128554 is C24H27N5O4.
What is the molecular weight of A3045/0128554?
The molecular weight of A3045/0128554 is 449.21 g/mol.
Where can I buy A3045/0128554?
You can request a quote for A3045/0128554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3045/0128554?
Yes, KEHONG BIO provides custom synthesis services for A3045/0128554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.