BAS 01257327
TL;DR: BAS 01257327 (CAS 337341-04-5) is a chemical compound with molecular formula C22H24N6O3 and molecular weight 420.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-5-phenyl-4-(2-piperazin-1-ylethyliminomethyl)-1H-pyrazol-3-one
Also Known As: BAS 01257327, (4E)-2-(4-nitrophenyl)-5-phenyl-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one, 2-{4-nitrophenyl}-5-phenyl-4-({[2-(1-piperazinyl)ethyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one, 2-(4-nitrophenyl)-5-phenyl-4-(2-piperazin-1-ylethyliminomethyl)-1H-pyrazol-3-one, 2-(4-nitrophenyl)-5-phenyl-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one
| Molecular Formula | C22H24N6O3 |
|---|---|
| Molecular Weight | 420.19 g/mol |
| LogP | 2.0649 |
| Topological Polar Surface Area | 108.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.19098 |
| Heavy Atoms | 31 |
| Complexity | 1112.3981 |
Chemical Identifiers
| CAS Number | 337341-04-5 |
|---|---|
| SMILES | C1CN(CCN1)CCN=CC2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
BAS 01257327 (CAS 337341-04-5), with molecular formula C22H24N6O3 and molecular weight 420.19 g/mol. IUPAC: 2-(4-nitrophenyl)-5-phenyl-4-(2-piperazin-1-ylethyliminomethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01257327
Property Insights of BAS 01257327
The XLogP value of 2.0649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01257327. The TPSA of 108.56 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01257327. Following Lipinski's Rule of Five, BAS 01257327 has 2 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 BAS 01257327?
The CAS number of BAS 01257327 is 337341-04-5.
What is the molecular formula of BAS 01257327?
The molecular formula of BAS 01257327 is C22H24N6O3.
What is the molecular weight of BAS 01257327?
The molecular weight of BAS 01257327 is 420.19 g/mol.
Where can I buy BAS 01257327?
You can request a quote for BAS 01257327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257327?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.