![4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione structure](/static/products/866/866009-79-2.png)
4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
TL;DR: 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione (CAS 866009-79-2) is a chemical compound with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1H-1,3,4-benzotriazepine-2,5-dione
Also Known As: 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione, 4-tert-butyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1H-1,3,4-benzotriazepine-2,5-dione, 4-tert-butyl-3-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]-2,3,4,5-tetrahydro-1H-1,3,4-benzotriazepine-2,5-dione
| Molecular Formula | C23H24N4O4 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 3.3761 |
| Topological Polar Surface Area | 90.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.17975 |
| Heavy Atoms | 31 |
| Complexity | 1053.9792 |
Chemical Identifiers
| CAS Number | 866009-79-2 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione (CAS 866009-79-2), with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol. IUPAC: 4-tert-butyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1H-1,3,4-benzotriazepine-2,5-dione.
Chemical Property Profile of 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
Property Insights of 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
The XLogP value of 3.3761 indicates that 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione. Following Lipinski's Rule of Five, 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione has 1 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 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The CAS number of 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is 866009-79-2.
What is the molecular formula of 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The molecular formula of 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is C23H24N4O4.
What is the molecular weight of 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
The molecular weight of 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione is 420.18 g/mol.
Where can I buy 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
You can request a quote for 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-3-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.