BAS 03058400
TL;DR: BAS 03058400 (CAS 404897-77-4) is a chemical compound with molecular formula C23H26N6O4 and molecular weight 450.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(2-piperazin-1-ylethyliminomethyl)-1H-pyrazol-3-one
Also Known As: BAS 03058400, A2698/0114832, (4E)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one, (4E)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one, (4Z)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one
| Molecular Formula | C23H26N6O4 |
|---|---|
| Molecular Weight | 450.20 g/mol |
| LogP | 2.0735 |
| Topological Polar Surface Area | 117.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.20154 |
| Heavy Atoms | 33 |
| Complexity | 1175.1559 |
Chemical Identifiers
| CAS Number | 404897-77-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])C=NCCN4CCNCC4 |
Product Overview
BAS 03058400 (CAS 404897-77-4), with molecular formula C23H26N6O4 and molecular weight 450.20 g/mol. IUPAC: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(2-piperazin-1-ylethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 03058400
Property Insights of BAS 03058400
The XLogP value of 2.0735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03058400. The TPSA of 117.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03058400. Following Lipinski's Rule of Five, BAS 03058400 has 2 hydrogen bond donor(s) and 7 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 BAS 03058400?
The CAS number of BAS 03058400 is 404897-77-4.
What is the molecular formula of BAS 03058400?
The molecular formula of BAS 03058400 is C23H26N6O4.
What is the molecular weight of BAS 03058400?
The molecular weight of BAS 03058400 is 450.20 g/mol.
Where can I buy BAS 03058400?
You can request a quote for BAS 03058400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058400?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.