![2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione structure](/static/products/1021/1021995-71-0.webp)
2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
TL;DR: 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 1021995-71-0) is a chemical compound with molecular formula C18H15Cl2N3O3 and molecular weight 391.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, 4-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione, 2-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione, 2-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione
| Molecular Formula | C18H15Cl2N3O3 |
|---|---|
| Molecular Weight | 391.05 g/mol |
| LogP | 2.905 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.04904 |
| Heavy Atoms | 26 |
| Complexity | 900.1552 |
Chemical Identifiers
| CAS Number | 1021995-71-0 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)C4=CN(N=C4)CC5=CC(=C(C=C5)Cl)Cl |
Product Overview
2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione (CAS 1021995-71-0), with molecular formula C18H15Cl2N3O3 and molecular weight 391.05 g/mol. IUPAC: 2-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Property Insights of 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
The XLogP value of 2.905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 4 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 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The CAS number of 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 1021995-71-0.
What is the molecular formula of 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular formula of 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is C18H15Cl2N3O3.
What is the molecular weight of 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
The molecular weight of 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione is 391.05 g/mol.
Where can I buy 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
You can request a quote for 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.