5-25-14-00116 (Beilstein Handbook Reference)
TL;DR: 5-25-14-00116 (Beilstein Handbook Reference) (CAS 66913-53-9) is a chemical compound with molecular formula C26H31N5O4 and molecular weight 477.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3,4-dimethoxy-2-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: 5-25-14-00116 (Beilstein Handbook Reference), Piperazine, 1-(6-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino)methyl)-2,3-dimethoxybenzoyl)-4-methyl-, 4-[[3,4-dimethoxy-2-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one, BRN 0950130
| Molecular Formula | C26H31N5O4 |
|---|---|
| Molecular Weight | 477.24 g/mol |
| LogP | 2.63982 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.2376 |
| Heavy Atoms | 35 |
| Complexity | 1301.5117 |
Chemical Identifiers
| CAS Number | 66913-53-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C(=C(C=C3)OC)OC)C(=O)N4CCN(CC4)C |
Product Overview
5-25-14-00116 (Beilstein Handbook Reference) (CAS 66913-53-9), with molecular formula C26H31N5O4 and molecular weight 477.24 g/mol. IUPAC: 4-[[3,4-dimethoxy-2-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 5-25-14-00116 (Beilstein Handbook Reference)
Property Insights of 5-25-14-00116 (Beilstein Handbook Reference)
The XLogP value of 2.63982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-14-00116 (Beilstein Handbook Reference). The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-14-00116 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-14-00116 (Beilstein Handbook Reference) 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 5-25-14-00116 (Beilstein Handbook Reference)?
The CAS number of 5-25-14-00116 (Beilstein Handbook Reference) is 66913-53-9.
What is the molecular formula of 5-25-14-00116 (Beilstein Handbook Reference)?
The molecular formula of 5-25-14-00116 (Beilstein Handbook Reference) is C26H31N5O4.
What is the molecular weight of 5-25-14-00116 (Beilstein Handbook Reference)?
The molecular weight of 5-25-14-00116 (Beilstein Handbook Reference) is 477.24 g/mol.
Where can I buy 5-25-14-00116 (Beilstein Handbook Reference)?
You can request a quote for 5-25-14-00116 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-14-00116 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-14-00116 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.