(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate
TL;DR: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate (CAS 98991-92-5) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate
Also Known As: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate, (1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl tert-butylcarbamate
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 98991-92-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OCN1C(=O)C2=C(C1=O)CCCC2 |
| InChIKey | VRGNWQOAEKNGPM-UHFFFAOYSA-N |
Product Overview
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate (CAS 98991-92-5), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate.
Chemical Property Profile of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate
Property Insights of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate. Following Lipinski's Rule of Five, (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate 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 (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate?
The CAS number of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate is 98991-92-5.
What is the molecular formula of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate?
The molecular formula of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate is C14H20N2O4.
What is the molecular weight of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate?
The molecular weight of (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate is 280.14 g/mol.
Where can I buy (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate?
You can request a quote for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl N-tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.