![N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide structure](/static/products/1126/112674-06-3.webp)
N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide
TL;DR: N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide (CAS 112674-06-3) is a chemical compound with molecular formula C25H33N3O3S and molecular weight 455.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide
Also Known As: N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide, 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-N-{[(PHENYLFORMAMIDO)METHANETHIOYL]AMINO}PROPANAMIDE, N-(2-(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)hydrazinecarbonothioyl)benzamide, 1-(4-benzoylthiosemicarbazido)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-propanone, N-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]thiocarbamoyl]benzamide
| Molecular Formula | C25H33N3O3S |
|---|---|
| Molecular Weight | 455.22 g/mol |
| LogP | 4.2555 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.22427 |
| Heavy Atoms | 32 |
| Complexity | 954.7222 |
Chemical Identifiers
| CAS Number | 112674-06-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide (CAS 112674-06-3), with molecular formula C25H33N3O3S and molecular weight 455.22 g/mol. IUPAC: N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide.
Chemical Property Profile of N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide
Property Insights of N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide
The XLogP value of 4.2555 indicates that N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide has 4 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 N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide?
The CAS number of N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide is 112674-06-3.
What is the molecular formula of N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide?
The molecular formula of N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide is C25H33N3O3S.
What is the molecular weight of N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide?
The molecular weight of N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide is 455.22 g/mol.
Where can I buy N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide?
You can request a quote for N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.