N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea
TL;DR: N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea (CAS 6333-69-3) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-4-oxopentan-2-yl)-3-(4-nitrophenyl)thiourea
Also Known As: 1-(2-methyl-4-oxopentan-2-yl)-3-(4-nitrophenyl)thiourea, N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.6389 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 526.16785 |
Chemical Identifiers
| CAS Number | 6333-69-3 |
|---|---|
| SMILES | CC(=O)CC(C)(C)NC(=S)NC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea (CAS 6333-69-3), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 1-(2-methyl-4-oxopentan-2-yl)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea
Property Insights of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea
The XLogP value of 2.6389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea 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 N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea?
The CAS number of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea is 6333-69-3.
What is the molecular formula of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea?
The molecular formula of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea is C13H17N3O3S.
What is the molecular weight of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea?
The molecular weight of N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea is 295.10 g/mol.
Where can I buy N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea?
You can request a quote for N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methyl-4-oxopentan-2-yl)-N'-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.