N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide (CAS 899379-14-7) is a chemical compound with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)isoindoline-4-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxamide
| Molecular Formula | C23H19N3O4 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 2.8963 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.13754 |
| Heavy Atoms | 30 |
| Complexity | 1130.5471 |
Chemical Identifiers
| CAS Number | 899379-14-7 |
|---|---|
| SMILES | C1C2=C(C(=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N1CC5=CC=NC=C5 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide (CAS 899379-14-7), with molecular formula C23H19N3O4 and molecular weight 401.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide
The XLogP value of 2.8963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide 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)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide is 899379-14-7.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide is C23H19N3O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide is 401.14 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide 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)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.