1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride
TL;DR: 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride (CAS 138274-18-7) is a chemical compound with molecular formula C21H33Cl2N5O2 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;dihydrochloride
Also Known As: 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride, 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-pipreazinyl)butyl)-, dihydrochloride, 5-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione dihydrochloride, 5-Methyl-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/2), RefChem:239366
| Molecular Formula | C21H33Cl2N5O2 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 2.6436 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.20114 |
| Heavy Atoms | 30 |
| Complexity | 699.897 |
Chemical Identifiers
| CAS Number | 138274-18-7 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4.Cl.Cl |
Product Overview
1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride (CAS 138274-18-7), with molecular formula C21H33Cl2N5O2 and molecular weight 457.20 g/mol. IUPAC: 5-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;dihydrochloride.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride
Property Insights of 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride
The XLogP value of 2.6436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride 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 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride?
The CAS number of 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride is 138274-18-7.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride is C21H33Cl2N5O2.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride is 457.20 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.