3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate
TL;DR: 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate (CAS 866008-23-3) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindol-1-yl] N-tert-butylcarbamate
Also Known As: 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate, [3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindol-1-yl] N-tert-butylcarbamate, 3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-yl N-tert-butylcarbamate, 3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindol-1-yl N-tert-butylcarbamate, 3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-ylN-tert-butylcarbamate
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 3.9274 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 749.8744 |
Chemical Identifiers
| CAS Number | 866008-23-3 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1C2=CC=CC=C2C(=O)N1CC3=CC=CS3 |
Product Overview
3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate (CAS 866008-23-3), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: [3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindol-1-yl] N-tert-butylcarbamate.
Chemical Property Profile of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate
Property Insights of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate
The XLogP value of 3.9274 indicates that 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate 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 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate?
The CAS number of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate is 866008-23-3.
What is the molecular formula of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate?
The molecular formula of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate is C18H20N2O3S.
What is the molecular weight of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate?
The molecular weight of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate is 344.12 g/mol.
Where can I buy 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate?
You can request a quote for 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl N-(tert-butyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.