2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
TL;DR: 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CAS 294891-84-2) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
Also Known As: TimTec1_002419, BRD-K18323096-001-01-4, 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide, A1947/0081807, 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 294891-84-2 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC=CS3 |
| InChIKey | FLNPCRWLLYJQPN-UHFFFAOYSA-N |
Product Overview
2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide (CAS 294891-84-2), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide.
Chemical Property Profile of 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
Property Insights of 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide. Following Lipinski's Rule of Five, 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-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 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The CAS number of 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is 294891-84-2.
What is the molecular formula of 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The molecular formula of 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is C16H15N3O3S.
What is the molecular weight of 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
The molecular weight of 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide is 329.08 g/mol.
Where can I buy 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
You can request a quote for 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.