N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide (CAS 690986-31-3) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 2.5973 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 982.7564 |
Chemical Identifiers
| CAS Number | 690986-31-3 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide (CAS 690986-31-3), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide
The XLogP value of 2.5973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide has 1 hydrogen bond donor(s) and 5 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 N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide is 690986-31-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide is C21H20N2O5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide is 380.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-isobutyl-1,3-dioxo-5-isoindolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.