4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
TL;DR: 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide (CAS 1022582-57-5) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
Also Known As: 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide, (4-(TERT-BUTYL)PHENYL)-N-((PYRIMIDIN-2-YLAMINO)THIOXOMETHYL)FORMAMIDE, 1-(4-tert-butylbenzoyl)-3-(pyrimidin-2-yl)thiourea, N-(pyrimidin-2-ylthiocarbamoyl)-4-tert-butyl-benzamide
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 2.9009 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 662.7952 |
Chemical Identifiers
| CAS Number | 1022582-57-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=CC=N2 |
Product Overview
4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide (CAS 1022582-57-5), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide.
Chemical Property Profile of 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
Property Insights of 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
The XLogP value of 2.9009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)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-(pyrimidin-2-ylcarbamothioyl)benzamide?
The CAS number of 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide is 1022582-57-5.
What is the molecular formula of 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
The molecular formula of 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide is C16H18N4OS.
What is the molecular weight of 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
The molecular weight of 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide is 314.12 g/mol.
Where can I buy 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide?
You can request a quote for 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)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-(pyrimidin-2-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.