2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide
TL;DR: 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide (CAS 875061-68-0) is a chemical compound with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide
Also Known As: AN-329/43341603, 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide, 2-{[(2,2-dimethylpropanoyl)carbamothioyl]amino}-N-ethylbenzamide, 2-({[(2,2-dimethylpropanoyl)amino]carbonothioyl}amino)-N-ethylbenzamide, 2-({[(2,2-dimethylpropanoyl)amino]carbothioyl}amino)-N-ethylbenzamide
| Molecular Formula | C15H21N3O2S |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.2954 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.13544 |
| Heavy Atoms | 21 |
| Complexity | 550.09485 |
Chemical Identifiers
| CAS Number | 875061-68-0 |
|---|---|
| SMILES | CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C(C)(C)C |
Product Overview
2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide (CAS 875061-68-0), with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol. IUPAC: 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide.
Chemical Property Profile of 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide
Property Insights of 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide
The XLogP value of 2.2954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide. Following Lipinski's Rule of Five, 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide has 3 hydrogen bond donor(s) and 3 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-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide?
The CAS number of 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide is 875061-68-0.
What is the molecular formula of 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide?
The molecular formula of 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide is C15H21N3O2S.
What is the molecular weight of 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide?
The molecular weight of 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide is 307.14 g/mol.
Where can I buy 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide?
You can request a quote for 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-dimethylpropanoylcarbamothioylamino)-N-ethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.