3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-
TL;DR: 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- (CAS 165250-47-5) is a chemical compound with molecular formula C25H28N6O3 and molecular weight 460.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]amino]-4-methylcyclobut-3-ene-1,2-dione
Also Known As: 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-, 3-[[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]amino]-4-methylcyclobut-3-ene-1,2-dione, 3-((3-(3-(4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-3-cyclobutene-1,2-dione, 3-[(3-{3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl}-1H-indol-5-yl)amino]-4-methylcyclobut-3-ene-1,2-dione, 3-((3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-1H-INDOL-5-YL)AMINO)-4-METHYL-3-CYCLOBUTEN-1,2-DIONE
| Molecular Formula | C25H28N6O3 |
|---|---|
| Molecular Weight | 460.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.2223 |
| Heavy Atoms | 34 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 165250-47-5 |
|---|---|
| SMILES | CC1=C(C(=O)C1=O)NC2=CC3=C(C=C2)NC=C3CCCN4CCN(CC4)C5=NC=NC=C5OC |
| InChIKey | HCXROGVQIBVJTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- (CAS 165250-47-5), with molecular formula C25H28N6O3 and molecular weight 460.22 g/mol. IUPAC: 3-[[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]amino]-4-methylcyclobut-3-ene-1,2-dione.
Chemical Property Profile of 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-
Property Insights of 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-. Following Lipinski's Rule of Five, 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- has 2 hydrogen bond donor(s) and 8 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 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-?
The CAS number of 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- is 165250-47-5.
What is the molecular formula of 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-?
The molecular formula of 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- is C25H28N6O3.
What is the molecular weight of 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-?
The molecular weight of 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- is 460.22 g/mol.
Where can I buy 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-?
You can request a quote for 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclobutene-1,2-dione, 3-((3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-1H-indol-5-yl)amino)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.