![4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide structure](/static/products/4332/433248-49-8.webp)
4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
TL;DR: 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide (CAS 433248-49-8) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
Also Known As: AB00122588-01, AN-465/40934528, 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide, 4-butoxy-N-[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamothioyl]benzamide, N-(4-butoxybenzoyl)-N'-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)thiourea
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.2181 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 972.39154 |
Chemical Identifiers
| CAS Number | 433248-49-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)N(C3=O)C |
Product Overview
4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide (CAS 433248-49-8), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
Property Insights of 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide
The XLogP value of 3.2181 indicates that 4-butoxy-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 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide has 2 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 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
The CAS number of 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide is 433248-49-8.
What is the molecular formula of 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
The molecular formula of 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide is C21H21N3O4S.
What is the molecular weight of 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
The molecular weight of 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide is 411.13 g/mol.
Where can I buy 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
You can request a quote for 4-butoxy-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-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.