2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione
TL;DR: 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione (CAS 41935-25-5) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoindole-1,3-dione
Also Known As: 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoindole-1,3-dione, Isoindole-1,3(2H)-dione, 2-(3,5-dimethyl-1H-pyrazol-4-yl)methyl-, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoindoline-1,3-dione, 2-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H13N3O2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.10077 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 41935-25-5 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | OEVCOOMQWXEDOB-UHFFFAOYSA-N |
Product Overview
2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione (CAS 41935-25-5), with molecular formula C14H13N3O2 and molecular weight 255.10 g/mol. IUPAC: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione
Property Insights of 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 3 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-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione?
The CAS number of 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione is 41935-25-5.
What is the molecular formula of 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione?
The molecular formula of 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione is C14H13N3O2.
What is the molecular weight of 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione?
The molecular weight of 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione is 255.10 g/mol.
Where can I buy 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione?
You can request a quote for 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,5-Dimethyl-1H-pyrazol-4-yl)methyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.