N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea
TL;DR: N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea (CAS 5398-30-1) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 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-phenylthiourea
Also Known As: 1-(2-methyl-4-oxopentan-2-yl)-3-phenylthiourea, N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea, N'-(2-methyl-4-oxopentan-2-yl)-N-phenyl-1-sulfanylmethanimidamide, N'-[(E)-1,1-dimethyl-3-oxobutyl]-N-phenylcarbamimidothioic acid
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.7307 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 401.14032 |
Chemical Identifiers
| CAS Number | 5398-30-1 |
|---|---|
| SMILES | CC(=O)CC(C)(C)NC(=S)NC1=CC=CC=C1 |
Product Overview
N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea (CAS 5398-30-1), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 1-(2-methyl-4-oxopentan-2-yl)-3-phenylthiourea.
Chemical Property Profile of N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea
Property Insights of N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea
The XLogP value of 2.7307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea. With a topological polar surface area (TPSA) of 41.13 Ų, N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea has 2 hydrogen bond donor(s) and 2 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'-phenylthiourea?
The CAS number of N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea is 5398-30-1.
What is the molecular formula of N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea?
The molecular formula of N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea is C13H18N2OS.
What is the molecular weight of N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea?
The molecular weight of N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea is 250.11 g/mol.
Where can I buy N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea?
You can request a quote for N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea 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'-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methyl-4-oxopentan-2-yl)-N'-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.