![4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide structure](/static/products/4332/433248-09-0.webp)
4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
TL;DR: 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide (CAS 433248-09-0) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
Also Known As: AN-465/40934547, 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide, 4-tert-butyl-N-[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamothioyl]benzamide, N-(4-tert-butylbenzoyl)-N'-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)thiourea
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.3367 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 990.9457 |
Chemical Identifiers
| CAS Number | 433248-09-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)N(C3=O)C |
Product Overview
4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide (CAS 433248-09-0), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
Property Insights of 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
The XLogP value of 3.3367 indicates that 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide has 2 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-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide is 433248-09-0.
What is the molecular formula of 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide is C21H21N3O3S.
What is the molecular weight of 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide is 395.13 g/mol.
Where can I buy 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide 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-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.